data_2dba_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 2dba _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 ' 27' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' GLN . 16.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 27' ' ' SER . 3.7 p -35.27 -40.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 5.5 pt-20 -58.72 -46.68 86.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' SER . 38.0 tt0 -90.64 -68.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.38 -42.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' LEU . 31.5 ttt180 -36.55 -49.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -46.78 -44.78 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.1 tt0 -42.98 -44.45 4.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.55 -64.03 4.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.415 ' C ' ' HE3' ' A' ' 40' ' ' LYS . 13.1 m-80 -54.54 -46.58 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -51.08 -41.41 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 47' ' ' ALA . 19.5 mt -73.79 -30.55 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -69.35 -49.09 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.7 ptpt -61.32 -8.91 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -104.88 -21.58 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.15 -29.24 7.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.95 93.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.58 -46.31 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.27 -38.61 26.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -82.31 -53.67 3.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.449 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.459 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -36.44 -50.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 2.7 tm? -58.88 -53.98 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.47 -51.77 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.46 -54.23 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -53.44 -35.31 60.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -58.94 -58.74 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.6 -51.83 52.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.55 -47.73 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.411 HD11 ' NH2' ' A' ' 71' ' ' ARG . 16.2 mt -68.38 -27.23 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.46 33.23 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -137.1 -179.42 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -88.55 60.18 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.18 166.18 16.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 159.79 80.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.51 36.08 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.366 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -85.47 -23.01 28.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.43 -33.33 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -57.16 -35.3 69.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.0 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.15 -32.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.86 -41.37 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -56.67 -51.88 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -63.7 -24.42 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -76.36 -41.15 49.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' NH2' HD11 ' A' ' 55' ' ' LEU . 14.9 mtt180 -53.67 -43.52 68.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.64 66.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.92 -50.11 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.2 m -59.8 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' LEU . 22.5 m-70 -54.67 -59.16 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.5 mt -39.45 -48.96 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -65.89 -32.77 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' HIS . 7.4 mt -96.16 46.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' LEU . 6.1 tt0 36.3 47.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.453 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 9.6 m-20 -121.42 43.01 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.47 ' CE1' ' HE2' ' A' ' 111' ' ' LYS . 6.3 m-85 -55.48 -50.5 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.43 -55.81 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' ALA . 27.9 mttt -72.12 -51.72 20.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.68 -49.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -52.33 -56.77 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.3 m -53.37 -57.55 10.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.74 -53.22 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.93 -52.98 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.0 t -49.61 -46.26 49.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.12 -34.5 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.25 -20.3 37.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -83.64 -37.66 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.26 -42.73 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -45.7 -57.05 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -110.92 -70.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 129.12 -35.36 2.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.35 23.64 26.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.02 80.27 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.474 HG12 ' CB ' ' A' ' 128' ' ' LEU . 6.6 m -62.45 -19.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -55.87 -56.74 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.23 -51.25 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -60.51 -28.91 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -84.77 -39.88 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.429 ' NH2' ' OD1' ' A' ' 121' ' ' ASP . 15.8 ttp180 -55.3 -50.62 69.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -51.58 -49.22 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -48.97 -43.71 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.3 -51.77 48.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 112' ' ' LEU . 47.5 mt -50.41 -54.8 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -40.85 -36.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.47 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 9.3 mptt -77.7 -39.96 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 109' ' ' LEU . 45.1 mt -64.62 -23.35 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.65 -7.2 27.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -89.69 91.39 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 116' ' ' ASP . 20.7 mt -79.7 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.1 m-20 -36.34 -47.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.05 -52.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.56 -35.97 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.454 HG22 ' CD1' ' A' ' 142' ' ' ILE . 21.4 t -72.53 -44.94 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.7 mt -52.45 -54.41 32.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.429 ' OD1' ' NH2' ' A' ' 105' ' ' ARG . 74.0 m-20 -53.92 -50.48 66.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' CYS . 40.6 mt -55.72 -52.1 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -40.98 -33.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -74.07 -39.48 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 122' ' ' LEU . 60.4 m -54.33 -34.1 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.9 t -66.61 -38.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.0 t -61.47 -61.56 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.474 ' CB ' HG12 ' A' ' 99' ' ' VAL . 2.8 mm? -50.12 -55.23 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.89 88.78 8.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.697 0.76 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.26 9.9 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -106.61 -43.25 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -51.92 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 135' ' ' PHE . 17.8 mtpt -71.38 -34.69 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 133' ' ' LYS . 69.9 t -35.55 -31.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 133' ' ' LYS . 19.4 m-85 -82.14 -51.69 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -47.39 -25.23 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -95.68 -53.02 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.6 -28.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.429 HD22 ' CB ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -68.58 -59.68 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.9 -18.74 63.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.48 -33.2 73.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.454 ' CD1' HG22 ' A' ' 119' ' ' VAL . 5.1 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.92 0.391 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.43 HG23 ' CB ' ' A' ' 54' ' ' ALA . 2.7 p -55.04 -24.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -78.36 -46.45 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' LEU . 2.9 tp60 -82.54 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -35.56 -40.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' LEU . 12.0 ttt180 -34.85 -54.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -40.1 -48.89 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -45.65 -43.46 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.36 -62.06 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.4 m-20 -59.05 -57.51 12.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 8.1 mm-40 -39.48 -41.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 47' ' ' ALA . 60.0 mt -72.18 -35.89 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.3 t80 -68.25 -52.95 28.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -55.65 -13.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.1 t -104.45 -24.43 13.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.78 -29.32 6.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.78 89.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -80.58 -47.16 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.95 -35.56 18.33 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.86 -51.15 3.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -41.23 -43.65 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.0 -51.35 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.53 -50.32 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.63 -52.13 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -52.24 -43.67 64.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -47.19 -59.27 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -50.86 -63.52 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' CB ' HG23 ' A' ' 28' ' ' VAL . . . -38.56 -45.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.2 -42.53 83.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.72 -46.34 30.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.09 159.1 24.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -80.35 46.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.99 160.64 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.81 157.5 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -18.26 36.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -84.91 -31.37 23.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -38.37 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -57.65 -55.38 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.46 ' CB ' ' OD1' ' A' ' 95' ' ' ASP . . . -45.3 -40.97 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.46 -55.54 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.2 -30.81 51.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -65.45 -58.21 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -62.44 -21.59 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -79.08 -54.86 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 72' ' ' ALA . 21.8 mtm180 -44.39 -55.02 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.62 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.2 m -43.03 -47.79 5.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 78' ' ' LEU . 37.7 m-70 -58.21 -61.45 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -40.32 -44.23 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -70.02 -35.47 74.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.1 mt -92.32 45.42 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.9 mt-10 36.32 46.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -121.09 45.97 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.416 ' CE1' ' HD3' ' A' ' 111' ' ' LYS . 35.0 m-85 -56.9 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -38.05 -57.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.8 mtpt -69.31 -44.15 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.89 -57.19 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -49.41 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.4 m -54.68 -54.14 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.55 -45.37 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.72 -52.03 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.0 p -50.3 -46.53 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -62.65 -41.31 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.18 98.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.01 -65.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 11.6 pt-20 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 16.3 mmtp -50.2 -55.76 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 4.0 m-20 -94.84 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.89 -42.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.59 55.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -120.1 89.05 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.4 m -69.13 -29.34 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -46.96 -43.08 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.2 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 mt -52.92 -42.4 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -59.17 -28.96 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -85.89 -38.18 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -55.29 -35.17 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.4 p -69.88 -26.38 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.87 -41.16 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.98 -48.67 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.2 mt -46.91 -51.18 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.16 -50.53 48.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.416 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 2.2 mptp? -62.29 -33.52 74.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.4 24.37 0.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.28 26.45 50.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -106.21 57.35 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.81 -32.99 74.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.24 -33.28 74.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.405 ' N ' ' CD ' ' A' ' 117' ' ' GLN . 2.2 mp0 -84.48 -38.22 20.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.21 -38.51 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.36 -50.31 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.0 mt -56.24 -61.78 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.14 -39.2 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 54.0 mt -75.79 -40.8 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -47.79 -20.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -87.01 -53.18 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.58 -22.96 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 92.3 t -79.74 -25.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.1 t -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.465 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 9.2 mt -54.14 -31.53 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -130.1 88.45 48.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -24.23 29.74 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -83.68 -39.04 20.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.4 m-80 -52.78 95.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -71.26 -35.0 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.0 t -45.78 -30.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.478 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 17.0 m-85 -78.51 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.76 -39.31 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.8 pt-20 -68.19 -33.29 74.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.464 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -75.57 -41.26 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 141' ' ' ASN . 34.8 tp -67.27 -59.04 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -44.06 -22.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 138' ' ' ALA . 51.4 m-20 -70.62 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.967 0.413 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -56.51 -23.11 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.75 -41.77 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -90.95 -65.73 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -39.32 -34.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -39.36 -43.14 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.1 -42.6 99.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.4 tp10 -43.62 -36.37 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.88 -55.51 4.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -52.23 -46.78 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 6.4 pt-20 -59.57 -28.92 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 47' ' ' ALA . 14.6 mt -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -74.11 -48.58 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 6.1 ptpt -51.29 -16.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.3 m -103.35 -24.74 13.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 118.51 -28.92 6.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.468 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.0 93.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 15.1 m-85 -80.25 -49.45 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.17 -27.76 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.427 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -91.57 -57.01 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -37.3 -40.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.68 -42.53 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.9 -45.32 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -52.79 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.11 -31.31 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 m -63.69 -59.23 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -49.51 -53.32 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . . . -45.54 -41.12 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -33.92 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.12 36.95 2.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.0 mt -142.67 155.19 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.12 85.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' OE1' ' A' ' 64' ' ' GLN . . . -119.5 141.23 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.55 159.52 0.68 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.704 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.48 28.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.325 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.24 -23.76 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.25 -37.93 31.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.411 ' OE1' ' CB ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -57.13 -58.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.0 -39.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.51 -55.52 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 54' ' ' ALA . 12.1 mt -56.7 -25.62 54.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -71.27 -52.88 16.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -58.79 -26.08 63.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.58 -53.81 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -44.07 -51.01 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.72 -47.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.74 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.3 m -46.36 -55.54 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -54.96 -50.5 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 81' ' ' TYR . 58.9 mt -48.87 -52.73 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -62.41 -33.39 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' GLU . 8.6 mt -90.67 45.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 5.8 tm-20 33.4 50.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -129.54 49.6 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.557 ' CD2' HD22 ' A' ' 76' ' ' LEU . 34.9 m-85 -60.8 -37.07 80.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.57 -53.47 18.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' ALA . 83.8 mttt -70.35 -53.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -37.51 -44.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -49.58 -48.56 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 m -57.37 -55.53 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' ALA . 81.5 mm-40 -49.68 -62.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.47 -58.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -54.02 -52.11 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -49.2 -48.17 45.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.43 -20.95 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' GLY . 97.9 mt -85.43 -59.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -54.89 -15.59 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -70.33 -59.2 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -107.45 -37.7 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 99.67 -54.24 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.82 59.64 4.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -123.11 77.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 18.2 m -57.99 -24.87 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -55.13 -56.42 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.36 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.97 -50.9 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -59.81 -37.1 78.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -69.09 -48.6 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -49.18 -41.7 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.1 p -53.64 -43.21 68.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.96 -46.98 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.71 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.5 mt -65.83 -59.3 4.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.83 -28.59 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.2 tppt? -77.45 -51.27 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.88 -22.71 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 34.35 3.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -118.09 59.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.29 -25.28 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -64.59 -38.84 92.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -81.24 -44.39 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.37 -36.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.463 HG22 ' CD1' ' A' ' 142' ' ' ILE . 63.4 t -66.57 -55.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.6 mt -52.45 -51.97 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.08 -44.47 87.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.7 mt -67.96 -29.89 69.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -62.72 -18.28 62.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -86.16 -56.02 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 31.5 p -48.7 -21.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.9 t -85.65 -29.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.6 t -72.56 -57.49 4.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.476 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.9 mt -61.67 -18.97 61.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 132' ' ' ASN . 12.5 mt-10 -135.04 95.56 15.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -43.59 2.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' LYS . 25.2 mtpt -71.78 -38.35 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.547 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.8 m-80 -47.14 91.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' LYS . 7.7 ttmt -74.26 -37.23 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 87.4 t -39.98 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.3 m-85 -79.48 -55.65 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -50.6 -46.04 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.55 -33.5 73.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -79.33 -33.67 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -46.46 -21.21 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -68.94 -60.95 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.463 ' CD1' HG22 ' A' ' 119' ' ' VAL . 4.4 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 54' ' ' ALA . 3.2 p -42.98 -33.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -81.79 -41.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.25 -64.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.2 pp -42.99 -28.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -38.8 -45.98 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -55.5 -41.17 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tp10 -47.48 -38.64 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.15 -63.5 3.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -54.87 -53.07 60.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.96 -39.93 9.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -74.13 -33.61 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -68.37 -50.85 50.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -60.89 -9.25 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 t -104.43 -22.78 13.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.43 -29.05 7.83 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.35 92.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -79.51 -47.26 15.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.36 -34.74 9.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -87.79 -53.83 2.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -38.07 -48.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.58 -49.75 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.04 -40.87 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.08 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -55.92 -37.78 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.5 m -53.75 -54.49 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -57.02 -58.82 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.461 ' CB ' HG21 ' A' ' 28' ' ' VAL . . . -40.14 -43.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 mt -73.48 -39.55 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.93 -44.36 55.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.1 mt -67.13 160.17 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.07 82.23 8.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -101.95 169.85 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -55.69 158.75 5.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.24 35.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -87.55 -35.24 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -68.67 -45.35 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 19.5 mt-30 -51.29 -55.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.91 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.29 -37.14 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.408 ' CD1' ' HB1' ' A' ' 54' ' ' ALA . 16.4 mt -73.84 -32.6 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -64.07 -50.38 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 100' ' ' LYS . 7.4 ptm180 -59.85 -20.88 59.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -84.16 -55.95 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -37.05 -53.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . -41.24 -59.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . . . -36.7 -50.31 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.31 -50.36 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -56.56 -52.19 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.4 HD21 ' CD2' ' A' ' 81' ' ' TYR . 69.3 mt -48.51 -49.71 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -64.68 -37.08 86.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.3 mt -86.32 39.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 37.64 43.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -120.85 43.14 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CD2' HD21 ' A' ' 76' ' ' LEU . 31.9 m-85 -55.03 -31.24 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.42 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -69.05 -35.87 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -45.53 -60.02 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -46.7 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.8 m -50.6 -54.67 20.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.77 -52.71 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.35 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.3 t -52.83 -43.91 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -55.86 -40.84 73.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.65 79.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' GLY . 80.2 mt -68.84 -58.78 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.27 -46.81 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -41.47 -57.02 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -104.86 -68.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 129.49 -48.45 0.97 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -96.14 47.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -108.46 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 11.6 m -73.9 -15.16 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 43.2 mmtt -62.23 -56.48 18.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.88 -30.05 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.12 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -42.8 -34.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -77.76 -52.06 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -38.84 -59.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.2 p -41.07 -48.28 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 111' ' ' LYS . 93.6 mm-40 -42.3 -45.39 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -71.28 -59.01 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 108' ' ' ALA . 87.4 mt -37.72 -54.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.8 -39.1 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -75.09 -24.88 58.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.29 5.87 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.93 19.16 65.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -105.56 82.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.0 -51.2 57.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -67.45 -49.15 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.47 -39.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.68 -50.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.0 mt -55.17 -50.18 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.39 -53.09 49.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 123' ' ' GLN . 39.5 mt -60.97 -52.2 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 122' ' ' LEU . 55.1 mt-30 -35.02 -38.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -63.21 -51.77 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 122' ' ' LEU . 34.6 m -46.29 -27.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.78 -39.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.7 t -63.85 -62.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.479 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.5 mp -52.73 -46.01 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -120.95 91.64 47.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.85 17.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -37.48 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.401 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.8 m-80 -52.36 107.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -82.17 -30.62 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 41.3 t -49.57 -27.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.7 m-85 -82.34 -41.98 19.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.36 -37.92 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -41.26 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 139' ' ' LEU . . . -64.25 -68.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 138' ' ' ALA . 4.3 tp -33.0 -66.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' LEU . 16.6 mmm180 -35.76 -42.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 138' ' ' ALA . 20.5 m-20 -47.39 -65.76 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.2 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.903 0.382 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HB1' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -49.51 -44.05 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.0 -25.44 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -91.08 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -45.63 -26.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -39.52 -39.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -67.75 -38.88 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.6 tp10 -47.25 -48.4 24.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -58.17 10.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -48.52 -62.46 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -40.01 -38.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 46' ' ' GLY . 74.9 mt -73.48 -38.1 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ASN . 20.9 t80 -68.53 -52.93 26.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -67.42 -3.47 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -109.54 -10.85 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.36 -31.53 8.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.49 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CZ ' ' HE3' ' A' ' 77' ' ' LYS . 29.7 m-85 -86.52 -48.64 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.78 -35.41 7.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -86.61 -55.29 2.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.478 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.408 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -37.37 -50.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.527 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 2.3 tm? -56.03 -51.99 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' N ' HD12 ' A' ' 48' ' ' LEU . . . -51.13 -51.91 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 -48.05 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -55.95 -43.02 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -53.88 -43.63 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -54.98 -51.52 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 28' ' ' VAL . . . -48.53 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.5 mt -50.29 -40.14 47.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.29 -42.13 72.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ALA . 59.2 mt -77.37 138.64 39.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.45 80.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' LEU . . . -93.46 177.61 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 157.11 89.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.08 36.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.76 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.22 -40.01 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -56.45 -53.27 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.45 -47.88 13.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.92 -34.46 63.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.9 mt -74.0 -33.83 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 25.9 m-70 -61.47 -37.43 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' N ' ' HB3' ' A' ' 91' ' ' ALA . 16.1 ptt180 -81.35 -23.93 37.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.08 -49.48 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' NE ' HD22 ' A' ' 48' ' ' LEU . 30.7 mmm-85 -49.4 -56.64 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.3 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.0 m -39.54 -51.37 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.403 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 9.5 m-70 -54.11 -53.02 58.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.2 mt -48.51 -45.5 37.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 23.1 mmmt -68.13 -36.53 79.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.64 39.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 38.77 49.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.403 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 57.6 m-20 -123.13 27.04 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 m-85 -41.88 -47.08 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 81' ' ' TYR . 30.8 t70 -36.93 -58.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -69.01 -45.09 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.91 -56.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE2' ' CG ' ' A' ' 105' ' ' ARG . 38.6 tp10 -41.67 -64.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -45.79 -58.3 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.0 mm-40 -49.91 -61.07 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -33.91 -58.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 t -49.55 -48.66 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -50.14 -43.74 52.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' HIS . . . -68.49 -16.94 64.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.7 mt -89.41 -65.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -41.81 -47.75 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 19.2 mmtt -36.9 -51.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.15 -64.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.44 -50.51 0.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.86 47.44 2.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -113.48 90.96 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 8.5 m -67.56 -39.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.463 ' N ' HG21 ' A' ' 99' ' ' VAL . 8.4 mmtp -41.25 -42.39 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.42 60.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.55 -54.0 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.81 -43.23 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.2 mmt-85 -61.48 -30.06 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.4 ' CG ' ' OE2' ' A' ' 85' ' ' GLU . 44.4 ttp180 -71.59 -49.13 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 p -51.25 -30.66 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -65.6 -31.41 72.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.12 -41.66 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.538 ' CD2' ' CZ ' ' A' ' 114' ' ' ARG . 47.8 mt -56.98 -41.3 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -58.14 -43.06 87.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.549 ' HE3' ' CE1' ' A' ' 81' ' ' TYR . 19.5 mmtt -75.8 -17.33 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -91.85 6.55 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.72 18.1 77.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.538 ' CZ ' ' CD2' ' A' ' 109' ' ' LEU . 65.8 mtp180 -107.34 53.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' ASP . 50.9 mt -55.29 -58.76 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 115' ' ' LEU . 31.6 m-20 -34.7 -44.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -73.17 -48.12 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.47 -40.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 142' ' ' ILE . 19.1 t -67.77 -44.13 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.1 mt -62.08 -40.95 97.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -28.58 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.401 ' CB ' HD11 ' A' ' 139' ' ' LEU . 84.7 mt -82.23 -36.37 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -55.45 -13.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -90.19 -56.03 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.5 p -50.87 -27.27 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.46 -28.26 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 t -79.46 -53.87 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 8.0 mt -58.2 -29.21 65.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -128.52 85.83 59.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -0.03 6.36 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.664 2.242 . . . . 0.0 112.38 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 133' ' ' LYS . 6.4 ptpp? -107.86 -40.09 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.415 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 4.4 m120 -54.45 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' LYS . 34.4 mtmm -66.09 -37.0 84.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.4 t -40.77 -35.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.415 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 14.3 m-30 -68.49 -57.98 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.95 -40.97 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.1 -43.67 86.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.31 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.401 HD11 ' CB ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -63.63 -32.88 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -74.51 -10.05 59.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -98.7 -24.45 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 119' ' ' VAL . 8.8 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.7 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.924 0.393 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 54' ' ' ALA . 2.1 p -57.94 -35.91 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.09 -39.73 63.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 32' ' ' ARG . 48.7 tt0 -86.74 -66.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.58 -32.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' GLN . 6.2 ttm180 -35.01 -56.4 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -46.14 -42.37 13.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 7.6 tp10 -44.71 -47.45 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.03 -50.03 14.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -48.45 -56.85 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.35 -44.41 16.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 46' ' ' GLY . 12.9 mt -63.77 -29.59 70.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -75.35 -54.68 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -58.88 -10.71 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 t -103.77 -23.71 13.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.49 -29.74 6.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.07 96.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -81.67 -51.88 7.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.1 -36.05 9.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -82.68 -56.41 2.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.9 -44.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.345 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 2.1 tm? -61.03 -47.91 84.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.16 -54.99 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.36 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -54.24 -41.46 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.7 m -53.7 -54.2 41.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ALA . 7.4 mt-30 -50.0 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -37.55 -51.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.92 -42.76 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -44.53 23.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -71.35 155.83 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.2 83.29 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -101.25 160.16 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -43.35 154.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.28 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -87.68 -33.07 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.69 -45.63 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' LEU . 12.6 mt-30 -46.23 -62.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.451 ' HB3' ' CB ' ' A' ' 94' ' ' LYS . . . -37.1 -46.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.9 t -57.22 -40.7 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' GLN . 9.6 mt -71.79 -40.55 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -56.82 -58.31 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -51.08 -35.31 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' ARG . 57.9 m-20 -63.6 -57.94 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 66.9 mtp85 -37.1 -53.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.6 -53.45 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.77 -48.08 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -54.76 -52.91 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.44 ' CD2' ' OE2' ' A' ' 87' ' ' GLU . 56.5 m-70 -59.81 -53.86 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.7 mt -43.39 -47.11 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -69.26 -33.38 73.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.5 mt -87.04 42.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.1 mt-10 37.01 36.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -121.35 45.72 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.528 ' CE2' ' HG2' ' A' ' 111' ' ' LYS . 35.1 m-85 -53.52 -43.48 68.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' TYR . 4.8 m-20 -37.09 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' ALA . 13.5 mtpp -61.03 -51.0 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.25 -53.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -44.34 -60.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.9 m -52.0 -49.08 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' OE2' ' CD2' ' A' ' 75' ' ' HIS . 1.5 mp0 -50.61 -50.74 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.32 -50.84 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.6 p -50.56 -45.73 57.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -50.72 -43.19 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.76 -31.69 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.52 -51.33 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.79 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' CB ' ' HB3' ' A' ' 65' ' ' ALA . 24.2 mmtt -44.16 -61.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -108.31 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.74 -43.38 1.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.468 ' CA ' HD21 ' A' ' 128' ' ' LEU . . . -101.4 59.98 0.61 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.33 91.83 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 1.5 m -59.94 -39.95 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 27.3 mmtp -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.61 -46.09 20.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.36 -45.66 62.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -57.89 -33.86 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -74.88 -49.53 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -47.08 -57.61 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.6 p -44.7 -49.1 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -44.62 -49.79 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.96 -53.76 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.3 mt -43.58 -55.26 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -50.94 -44.41 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.528 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 7.6 mptt -63.68 -46.76 84.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.65 -28.94 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 126.38 -22.14 5.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.57 89.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -79.13 -65.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -40.28 -35.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -65.49 -49.14 70.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.02 -38.17 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 142' ' ' ILE . 44.8 t -65.11 -53.43 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.32 -41.25 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.6 -48.66 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.57 -50.04 74.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -39.31 -40.61 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 127' ' ' SER . 71.3 mtt180 -60.51 -48.41 81.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.451 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 62.1 m -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.37 -36.75 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.6 t -58.34 -58.07 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.0 mp -61.17 -34.71 75.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.55 89.43 52.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 3.06 3.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.3 OUTLIER -114.95 -44.44 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.567 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 2.0 t-20 -36.19 115.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -87.87 -27.43 22.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -55.86 -33.19 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 9.9 m-30 -75.1 -44.31 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -61.03 -43.75 98.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 5.5 pt-20 -66.91 -37.89 85.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.65 84.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 141' ' ' ASN . 3.7 tp -67.89 -63.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -39.53 -26.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 139' ' ' LEU . 62.6 m-20 -68.03 -62.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.455 ' CD1' HG22 ' A' ' 119' ' ' VAL . 6.5 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.941 0.401 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -48.97 -43.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.33 -30.38 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.5 tt0 -90.6 -69.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -39.57 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -44.46 -44.46 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -57.41 -42.96 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -46.41 -43.1 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.84 -60.92 5.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -52.91 -57.86 8.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -40.38 -44.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 47' ' ' ALA . 34.1 mt -69.96 -31.74 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' ASN . 17.4 t80 -70.39 -50.95 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.4 ptpt -61.19 -8.93 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.96 -20.42 13.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.0 -36.13 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -51.66 93.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -80.06 -45.44 18.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.16 -31.21 11.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.34 -54.55 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.461 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -40.84 -41.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.98 -43.01 79.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.97 -46.02 71.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.97 72.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -54.76 -35.94 64.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -57.08 -56.6 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.79 -48.73 72.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . . . -43.86 -51.86 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.1 -41.1 95.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.39 -41.0 47.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.6 mt -77.52 143.64 38.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 6.0 p-10 -67.69 88.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -106.29 171.52 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.61 158.68 4.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.99 33.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -88.35 -26.11 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -84.05 -31.64 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 15.6 mt-30 -60.74 -32.47 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . . . -76.8 -67.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ALA . 12.1 p -37.15 -29.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ALA . 12.9 mt -82.41 -47.27 12.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' ALA . 22.2 m-70 -53.1 -49.02 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 69' ' ' ARG . 6.5 ppt_? -65.82 -23.23 66.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -79.5 -49.64 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -41.31 -50.58 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.41 -47.97 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.58 -66.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.51 -48.57 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -59.47 -53.37 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.3 mt -44.92 -49.09 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -64.43 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.6 mt -94.61 43.84 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' LEU . 24.6 mt-10 36.8 43.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -119.53 42.55 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.9 m-85 -56.27 -39.12 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -56.76 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -72.29 -31.7 65.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -57.37 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -39.75 -53.27 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.5 m -54.13 -67.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -36.77 -40.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.91 -50.65 71.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -64.03 -34.16 77.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.52 -44.48 21.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 96' ' ' GLY . 33.7 mt -59.58 -45.77 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.49 -37.05 86.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -59.18 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -81.09 -56.82 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 87.2 24.15 38.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.12 25.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -111.1 132.56 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 11.1 m -91.12 -27.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -42.94 -48.06 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.27 -49.78 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.8 mt -44.41 -56.01 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -56.6 -39.72 74.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -63.42 -45.76 89.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -51.77 -54.43 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 p -47.75 -48.65 29.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -51.12 -32.22 21.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.43 -42.62 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.3 mt -53.92 -47.54 71.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.52 -57.69 11.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -53.5 -43.2 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.39 -23.59 66.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.81 -5.98 18.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -89.19 82.76 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.6 mt -75.98 -53.17 8.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.25 -45.17 23.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 120' ' ' LEU . 14.5 mm-40 -63.46 -53.2 55.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLN . . . -35.55 -46.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.2 t -62.77 -42.7 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 117' ' ' GLN . 24.0 mt -59.89 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.48 -34.33 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 124' ' ' ARG . 32.1 mt -73.14 -43.87 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -43.67 -23.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 122' ' ' LEU . 68.0 mtt-85 -84.2 -56.62 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 29.7 p -51.17 -21.3 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.2 t -84.15 -30.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.4 t -77.01 -40.5 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.469 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -68.48 -27.79 66.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -133.31 96.62 17.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -33.16 17.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -76.04 -42.62 47.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.502 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 2.1 m-80 -51.39 102.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 136' ' ' GLN . 32.9 mttp -79.12 -38.56 35.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 73.8 t -42.61 -27.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 21.9 m-85 -83.68 -35.72 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 133' ' ' LYS . 30.7 mt-30 -75.22 -33.27 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.486 ' O ' ' ND2' ' A' ' 141' ' ' ASN . 0.3 OUTLIER -71.56 -34.67 70.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.7 -26.58 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -70.28 -24.51 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 137' ' ' GLU . 44.2 m-20 -65.36 -38.66 90.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLN . 49.2 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 p -42.46 -37.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 17.4 tt0 -71.12 -38.35 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.9 tp60 -81.18 -68.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -40.74 -29.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' NH1' ' O ' ' A' ' 29' ' ' GLU . 3.1 ttp-105 -38.32 -50.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -50.89 -42.32 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.6 tp10 -46.76 -48.81 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.95 -60.8 8.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 39' ' ' PHE . 64.5 m-80 -53.76 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' ASN . 17.7 mt-10 -37.77 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.02 -38.43 20.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' ASN . 33.0 t80 -65.92 -53.18 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.23 -11.89 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 t -105.48 -21.44 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' TYR . . . 117.36 -38.31 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.88 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' GLY . 29.3 m-85 -82.42 -46.5 13.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.19 -36.47 15.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.26 -51.69 3.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.31 -50.31 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 3.1 tm? -57.39 -52.52 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.21 -54.19 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.51 -51.24 49.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -54.42 -41.39 69.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -56.67 -43.25 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -61.65 -58.51 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.455 ' N ' HD22 ' A' ' 31' ' ' LEU . . . -44.63 -51.42 9.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.6 mt -61.03 -29.13 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.1 33.79 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' ALA . 58.4 mt -145.32 144.51 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.96 82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LEU . . . -108.93 164.45 12.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.47 158.54 20.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -86.93 -21.1 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.22 -32.36 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 43.0 mt-30 -61.23 -29.18 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -79.59 -66.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 10.0 p -36.94 -32.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' ALA . 11.0 mt -71.68 -45.44 61.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ALA . 20.9 m-70 -56.04 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.7 ptt85 -51.38 -23.75 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 59.1 m-20 -81.11 -51.16 8.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -45.47 -52.11 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.82 -47.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.45 -62.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.9 m -46.5 -54.69 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -51.22 -58.46 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.403 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 14.3 mt -45.79 -42.63 12.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -69.35 -44.66 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.6 mt -79.91 44.22 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.4 tt0 36.47 36.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -117.0 45.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.473 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 23.6 m-85 -60.66 -34.98 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.63 -63.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -72.37 -41.64 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -41.86 -52.07 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.445 ' OE1' ' CD1' ' A' ' 112' ' ' LEU . 4.9 tt0 -48.05 -60.12 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.8 m -45.31 -52.62 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -43.73 -65.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' SER . . . -41.58 -61.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' ALA . 1.6 t -37.01 -51.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -56.36 -51.81 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.59 -54.7 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.88 -24.62 20.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.49 -33.04 19.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -52.51 -45.53 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -112.6 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.74 -39.61 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.42 42.64 1.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.45 92.6 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.47 HG13 ' CB ' ' A' ' 128' ' ' LEU . 3.7 m -76.73 -15.21 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -63.45 -47.4 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.63 -30.69 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 124' ' ' ARG . 37.2 mt -59.44 -51.23 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.63 -40.25 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -75.35 -31.21 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 85' ' ' GLU . 10.3 ttm-85 -58.47 -49.0 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -53.08 -46.37 68.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -48.16 -47.65 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.403 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -67.93 -53.6 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 mt -46.8 -46.17 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -50.95 -55.21 18.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.473 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 5.9 tptm -51.12 -27.15 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.445 ' CD1' ' OE1' ' A' ' 85' ' ' GLU . 31.4 mt -94.31 28.66 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 52.88 15.2 3.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -91.53 48.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -60.56 -34.34 74.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -32.01 71.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.41 ' CD ' ' N ' ' A' ' 117' ' ' GLN . 3.2 mp0 -83.67 -44.63 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -41.08 -42.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.62 -43.3 90.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.47 -36.36 83.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.02 -20.94 51.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 124' ' ' ARG . 21.9 mt -84.28 -52.72 6.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -38.64 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 122' ' ' LEU . 81.3 mtt180 -73.18 -56.3 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.9 p -53.78 -20.26 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.7 t -81.24 -38.52 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.9 t -61.61 -60.34 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.47 ' CB ' HG13 ' A' ' 99' ' ' VAL . 2.1 mp -48.87 -46.12 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HB3' ' CG ' ' A' ' 132' ' ' ASN . 5.6 mm-40 -111.57 94.51 23.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.86 32.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' LYS . 40.8 mmtm -90.55 -46.57 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 129' ' ' GLU . 4.8 m-20 -39.73 96.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -75.58 -21.42 57.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.6 -29.73 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -81.62 -55.25 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -50.35 -35.33 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -31.43 56.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.67 -27.14 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.67 -49.67 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -69.58 -17.05 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.17 -37.49 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 10.7 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLN . 60.0 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.954 0.407 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.58 -33.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.57 -41.79 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -88.67 -63.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -39.86 -35.65 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' LEU . 23.1 ttt85 -34.5 -48.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HZ1' ' NE2' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -51.89 -47.88 64.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.5 tp10 -40.67 -39.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.88 -61.34 5.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 39' ' ' PHE . 11.5 m-20 -55.97 -56.35 21.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -39.2 -44.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 47' ' ' ALA . 38.9 mt -70.64 -34.32 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 36' ' ' ASN . 23.9 t80 -67.43 -53.31 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -58.11 -11.59 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.73 -26.55 12.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.27 -38.15 2.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.86 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.28 -52.97 6.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -34.01 5.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -84.85 -55.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -37.1 -49.23 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 3.1 tm? -57.19 -57.72 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.15 -52.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.94 -51.06 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -54.14 -42.98 70.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.7 m -50.13 -55.14 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.97 -59.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.78 -50.28 18.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 68' ' ' HIS . 14.8 mt -62.67 -40.47 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.73 -45.62 68.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.499 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.0 163.53 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.53 41.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.08 167.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -53.75 157.21 4.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.67 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.16 32.23 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.65 2.234 . . . . 0.0 112.311 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -92.57 -32.69 14.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -80.98 -25.6 37.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.537 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 32.7 mt-30 -64.76 -31.5 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.8 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 67' ' ' LEU . 7.3 p -42.39 -44.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.426 ' N ' HG13 ' A' ' 66' ' ' VAL . 18.8 mt -63.29 -39.45 94.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 33.1 m-70 -61.02 -61.36 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -54.25 -30.64 51.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -69.96 -47.35 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 33.1 mtp180 -48.97 -49.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -34.74 -44.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.1 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.3 m -42.76 -48.63 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.463 ' CE1' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-70 -66.65 -51.9 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 mt -46.7 -41.67 15.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -73.99 -39.36 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 79' ' ' GLU . 11.3 mt -84.53 44.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tt0 35.72 46.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.412 ' OD2' ' ND1' ' A' ' 75' ' ' HIS . 35.6 t0 -127.91 37.73 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 111' ' ' LYS . 31.2 m-85 -44.81 -47.79 10.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -34.97 -63.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.463 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 14.0 mtpp -57.57 -44.7 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.3 -57.83 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -38.65 -50.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.4 m -60.64 -64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -43.29 -25.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.9 -46.5 12.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.0 t -65.25 -21.17 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.2 -40.63 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.18 -57.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -52.9 -34.85 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -56.65 -40.19 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -103.26 -64.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.78 -54.9 0.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -118.07 55.45 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.98 91.49 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.6 m -59.0 -41.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' VAL . 19.5 mttp -34.61 -48.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.01 75.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' VAL . 13.5 mt -50.13 -55.47 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -50.25 -44.5 53.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -64.47 -48.91 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -51.63 -52.11 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.0 p -47.19 -48.52 23.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.4 -39.86 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.78 -44.19 61.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.7 mt -53.97 -57.79 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.03 -38.76 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 11.0 mmtm -71.96 -49.63 35.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.3 -27.5 65.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.36 38.15 2.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -119.44 42.06 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.6 mt -42.46 -45.1 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -52.12 -41.66 62.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -77.63 -42.64 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.23 -36.26 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' A' ' 142' ' ' ILE . 44.2 t -72.29 -38.95 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.41 -41.47 84.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.53 -41.42 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 37.3 mt -71.92 -46.33 58.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -42.46 -39.79 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' SER . 33.7 mtt180 -65.44 -51.02 63.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 89.0 m -39.99 -40.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.66 -39.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 124' ' ' ARG . 23.3 t -62.5 -56.63 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 12.5 mt -63.22 -38.31 90.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.464 ' CG ' HG23 ' A' ' 99' ' ' VAL . 42.0 mm-40 -121.33 92.23 48.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.03 24.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 18.7 pttm -78.98 -45.07 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 5.5 m120 -47.6 104.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.44 ' HD2' ' NE2' ' A' ' 136' ' ' GLN . 8.1 tptm -83.16 -35.72 25.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.421 HG21 ' CD1' ' A' ' 135' ' ' PHE . 16.6 m -46.39 -23.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.4 m-85 -83.42 -40.78 18.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.44 ' NE2' ' HD2' ' A' ' 133' ' ' LYS . 43.6 mt-30 -68.8 -32.8 72.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -35.32 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.89 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 140' ' ' ARG . 23.9 tp -68.22 -66.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 139' ' ' LEU . 13.3 ptt180 -34.88 -36.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 139' ' ' LEU . 69.4 m-20 -57.0 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.413 ' CD1' HG22 ' A' ' 119' ' ' VAL . 8.2 pt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.0 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.923 0.392 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 7.3 p -38.3 -37.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 1.9 pp20? -70.78 -46.63 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' LEU . 5.6 tt0 -83.05 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -36.43 -34.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' LEU . 5.9 ttm180 -34.13 -53.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 33' ' ' LYS . 1.2 mppt? -48.88 -44.6 40.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.2 tt0 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.42 -60.46 4.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -52.94 -56.23 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 40' ' ' LYS . 32.5 mt-10 -41.06 -48.92 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 47' ' ' ALA . 37.5 mt -68.88 -39.12 79.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.41 -56.62 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 37' ' ' GLU . 12.7 pttm -64.69 -5.69 6.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.3 t -104.62 -11.74 16.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -17.37 56.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.8 87.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -79.39 -48.09 14.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.39 6.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' C ' HD11 ' A' ' 38' ' ' LEU . . . -94.03 -38.93 5.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.465 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -55.2 -38.51 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.76 -40.05 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.31 76.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.65 79.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' HB3' ' CD ' ' A' ' 71' ' ' ARG . 17.3 m-85 -54.78 -40.86 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -56.27 -50.94 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.8 mt-30 -53.33 -59.5 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' CA ' HG21 ' A' ' 28' ' ' VAL . . . -37.14 -54.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.547 HD12 ' CE1' ' A' ' 68' ' ' HIS . 12.5 mt -63.16 -37.44 87.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -55.5 -36.55 64.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.1 mt -78.97 146.92 33.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.09 79.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.94 160.71 14.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p -45.75 157.95 0.36 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.85 31.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -94.16 -27.61 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -79.7 -36.3 37.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.461 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 19.8 mt-30 -54.58 -31.18 56.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -75.71 -70.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' ALA . 11.6 p -36.9 -29.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ALA . 54.1 mt -77.13 -45.18 27.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.547 ' CE1' HD12 ' A' ' 55' ' ' LEU . 43.0 m-70 -53.2 -57.54 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -52.55 -27.89 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -78.63 -49.44 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.422 ' CD ' ' HB3' ' A' ' 51' ' ' TYR . 32.2 mmm-85 -49.03 -47.11 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -48.01 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.07 -67.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.32 -52.38 4.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.504 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 6.3 m-70 -53.67 -65.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.455 ' HG ' ' CB ' ' A' ' 84' ' ' ALA . 10.5 mt -40.63 -33.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.11 -39.47 25.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' HIS . 9.6 mt -89.31 46.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.6 mp0 37.18 54.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -132.48 33.54 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 111' ' ' LYS . 15.1 m-85 -47.2 -46.93 24.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' TYR . 5.2 m-20 -37.12 -62.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 20.4 mtpp -63.78 -49.23 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.455 ' CB ' ' HG ' ' A' ' 76' ' ' LEU . . . -42.14 -52.51 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' OE2' ' NH1' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -43.68 -47.78 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.0 m -72.33 -34.12 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 16.2 mt-10 -64.93 -27.4 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.28 -45.81 12.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -64.74 -17.08 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 18.0 ptpt -92.09 -31.77 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.94 -25.9 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.4 mt -75.69 -56.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -50.2 -35.72 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -66.79 -57.26 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -72.84 -66.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.53 26.89 23.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.66 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -119.28 89.38 3.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 17.6 m -56.55 -35.09 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.14 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -51.1 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 mt -40.0 -50.6 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.56 -44.64 93.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt-85 -60.97 -38.47 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.428 ' NH1' ' OE2' ' A' ' 85' ' ' GLU . 19.7 ttt85 -60.63 -56.83 16.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.4 p -44.77 -47.69 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.05 -42.31 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -73.58 -57.36 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' ALA . 86.9 mt -36.89 -50.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -55.09 -47.27 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 2.6 mptp? -67.36 -25.26 65.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.2 mt -85.52 6.27 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.25 -1.58 84.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -93.79 83.35 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 54.0 mt -83.27 -39.21 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.3 87.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.29 -51.86 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.437 ' O ' ' CD1' ' A' ' 122' ' ' LEU . . . -39.66 -42.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.61 -50.8 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.71 -61.55 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.78 -31.55 11.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 124' ' ' ARG . 20.3 mt -74.98 -49.37 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -38.86 -26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 122' ' ' LEU . 51.4 mtt-85 -77.74 -54.8 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.2 p -47.8 -22.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -81.16 -40.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 t -60.04 -56.61 19.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.47 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.1 mt -58.08 -39.83 79.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -117.86 85.93 23.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.49 33.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -83.28 -59.16 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.534 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.7 t-20 -34.45 120.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -25.52 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.453 ' HA ' ' CG ' ' A' ' 137' ' ' GLU . 77.0 t -55.12 -26.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 22.7 m-85 -78.49 -50.14 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.32 -40.78 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 134' ' ' VAL . 1.0 OUTLIER -65.97 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.62 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -50.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -69.5 -19.14 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -73.63 -19.99 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.3 pt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.408 HG21 ' C ' ' A' ' 54' ' ' ALA . 3.6 p -38.95 -39.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.3 -51.58 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -66.43 -70.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' ARG . 1.0 OUTLIER -39.16 -35.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' LEU . 6.5 ttp85 -35.17 -50.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -47.77 -49.01 29.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -43.8 -44.58 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.05 -63.46 5.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' PHE . 55.6 m-80 -57.32 -56.84 16.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -44.76 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -74.46 -31.76 62.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.9 t80 -71.92 -49.64 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 1.1 ptpm? -62.61 -7.6 5.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.9 t -107.25 -17.49 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.77 -36.31 4.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.26 92.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -81.94 -53.21 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.9 -27.26 4.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.99 -55.57 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.32 -39.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.11 -48.96 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.91 -47.82 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.04 -50.39 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -54.82 -36.34 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.8 m -57.18 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -49.74 -56.43 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' HG21 ' A' ' 28' ' ' VAL . . . -45.1 -55.66 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.0 mt -56.93 -37.14 71.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.92 -46.1 84.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.17 152.68 45.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.67 75.74 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.59 164.81 15.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.79 159.12 1.41 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -11.92 31.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -94.23 -25.53 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.15 -28.39 25.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.47 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 22.2 mt-30 -63.74 -31.35 72.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -76.14 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 8.3 p -39.54 -35.71 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.5 mt -74.0 -37.82 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ALA . 32.4 m-70 -60.5 -57.71 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 2.4 ptt-85 -56.98 -23.76 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -75.13 -49.1 20.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -43.44 -55.6 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.37 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.68 -57.42 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.0 m -54.12 -49.61 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.403 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 62.1 m-70 -54.27 -52.67 60.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 81' ' ' TYR . 78.0 mt -46.96 -46.56 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -68.76 -31.23 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 13.1 mt -95.84 40.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 10.9 tt0 36.4 42.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.403 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 83.8 m-20 -114.52 31.53 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.621 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 51.1 m-85 -42.1 -52.21 4.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' TYR . 3.4 m-20 -34.36 -57.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.8 -49.92 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.21 -50.91 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.37 -55.93 13.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -56.75 -45.16 82.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.03 -57.13 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 91' ' ' ALA . . . -45.14 -57.71 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.7 t -43.44 -47.79 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -59.66 -32.96 70.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 88' ' ' ALA . . . -73.52 -18.31 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.3 mt -87.38 -54.39 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.7 -25.11 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -55.69 -60.02 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.42 -52.95 3.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.35 -48.43 0.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.47 55.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.31 102.76 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 102' ' ' LEU . 12.1 m -70.96 -37.81 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -33.91 -41.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.54 -42.54 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 99' ' ' VAL . 10.3 mt -54.04 -46.55 71.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.36 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -67.67 -31.46 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -69.26 -53.91 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 p -47.8 -22.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -71.9 -49.5 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.39 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.95 -56.65 19.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -53.97 -39.37 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.621 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -56.01 -43.11 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.6 mt -79.29 8.02 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.39 -23.55 31.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -64.4 78.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.0 mt -81.7 -41.45 21.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.97 -43.8 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -61.72 -53.7 52.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -41.4 -44.41 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 142' ' ' ILE . 25.4 t -58.46 -55.04 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.0 mt -51.62 -60.08 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.55 -43.88 35.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.59 -48.51 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -40.3 -35.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -66.67 -50.24 63.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 56.2 m -45.93 -49.41 15.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.89 -24.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -81.01 -44.57 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -77.55 -25.77 50.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -129.62 87.84 51.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.14 34.24 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -93.95 -46.44 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.516 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 8.6 m120 -50.15 98.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -73.63 -33.25 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.409 HG22 ' CD1' ' A' ' 135' ' ' PHE . 34.5 m -47.75 -26.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.516 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 17.4 m-85 -79.01 -48.06 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.86 -32.02 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.26 -37.67 32.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.2 -24.36 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -53.96 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -69.43 -22.88 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -61.67 -38.54 88.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.451 ' CD1' HG23 ' A' ' 119' ' ' VAL . 13.7 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -48.97 -50.38 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -45.6 -45.76 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -73.01 -72.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -37.23 -37.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -35.96 -43.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -58.15 -46.05 86.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.8 tt0 -43.51 -44.93 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.94 -61.78 6.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' PHE . 91.3 m-20 -55.35 -54.98 36.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.33 -39.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.87 -30.83 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -65.82 -50.32 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -59.4 -10.42 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.6 t -103.21 -25.96 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.46 -34.1 4.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -49.65 94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -79.03 -44.77 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.62 -37.83 34.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -83.66 -58.86 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.23 -49.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 3.2 tm? -57.74 -54.58 45.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.73 -55.57 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.99 -50.58 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 20.5 m-85 -55.2 -42.79 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -48.46 -56.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -53.81 -53.98 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' CB ' HD23 ' A' ' 67' ' ' LEU . . . -42.16 -58.06 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.495 HD13 ' CE1' ' A' ' 68' ' ' HIS . 79.9 mt -57.23 -42.56 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.36 -48.07 49.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.1 mt -65.85 151.98 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.31 78.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.94 21.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.08 159.99 12.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.11 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.48 14.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -94.95 -38.95 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -34.06 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -48.88 -54.31 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.66 -57.43 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.3 t -48.49 -44.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 54' ' ' ALA . 19.5 mt -65.89 -50.98 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.495 ' CE1' HD13 ' A' ' 55' ' ' LEU . 40.0 m-70 -55.58 -60.23 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -46.21 -33.36 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 15.4 m-80 -76.39 -43.86 38.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -51.29 -60.19 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -37.86 -40.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.08 -58.78 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.8 m -48.99 -46.57 44.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -58.98 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 81' ' ' TYR . 69.6 mt -40.96 -43.24 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -67.67 -44.6 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.61 40.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 42.75 43.53 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -119.64 39.68 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.551 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 45.9 m-85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -35.93 -60.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mttp -63.97 -51.85 62.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -33.97 -62.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' CD ' HD22 ' A' ' 109' ' ' LEU . 27.9 tt0 -38.66 -61.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.2 m -58.94 -51.39 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.63 -56.71 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.12 -51.9 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -41.69 -37.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ILE . 41.6 mttt -68.06 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -43.75 -22.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' LYS . 71.0 mt -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 94' ' ' LYS . 4.2 pt-20 -42.0 -48.31 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 93' ' ' GLU . 0.5 OUTLIER -44.42 -72.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.08 -68.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.42 -36.79 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.02 52.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -109.32 94.43 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 22.6 m -61.4 -32.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.0 -55.58 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.64 91.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mt -48.44 -60.1 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -43.38 -42.78 4.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -69.98 -43.95 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -47.96 -59.89 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.8 p -45.15 -49.82 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -45.13 -41.76 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.07 45.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.424 ' CD1' ' OD2' ' A' ' 121' ' ' ASP . 19.2 mt -51.15 -55.45 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -45.6 -43.89 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.551 ' HG3' ' CD2' ' A' ' 81' ' ' TYR . 15.4 mmtm -64.51 -34.58 78.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.9 mt -87.58 27.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.74 33.12 59.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -114.04 47.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.67 -39.8 81.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -53.1 -39.78 63.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -81.42 -41.53 21.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.64 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 142' ' ' ILE . 95.4 t -55.83 -53.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.4 mt -52.29 -47.81 65.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.424 ' OD2' ' CD1' ' A' ' 109' ' ' LEU . 6.5 m-20 -59.02 -46.06 89.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 123' ' ' GLN . 29.7 mt -62.75 -46.89 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 122' ' ' LEU . 29.6 mt-30 -36.28 -48.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -56.11 -47.98 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.413 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 69.6 m -42.39 -51.4 4.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.15 -33.85 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.5 t -65.63 -60.16 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 7.1 mt -65.9 -33.05 74.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -123.45 93.75 47.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 132' ' ' ASN . 6.7 mtpm? -59.43 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.595 ' OD1' ' CZ ' ' A' ' 135' ' ' PHE . 1.6 t-20 -33.4 116.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 135' ' ' PHE . 2.4 mppt? -92.08 -47.12 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.506 ' CG2' ' OD1' ' A' ' 132' ' ' ASN . 30.6 m -35.26 -31.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.595 ' CZ ' ' OD1' ' A' ' 132' ' ' ASN . 15.7 m-30 -72.47 -51.37 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 133' ' ' LYS . 35.5 mt-30 -52.5 -47.63 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -65.98 -31.26 72.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.61 60.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 139' ' ' LEU . 0.5 OUTLIER -48.91 -57.69 6.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -65.21 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -55.76 -37.34 68.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.451 HD13 ' CG2' ' A' ' 119' ' ' VAL . 30.2 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 1.5 p -41.68 -38.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.46 -41.48 97.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.3 tp60 -85.81 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLN . 11.8 ttp180 -41.36 -59.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -46.04 -31.58 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 tp10 -49.68 -56.37 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.47 -28.15 52.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.01 -42.99 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 36.9 mt-10 -69.16 -37.09 78.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -87.33 -49.87 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 pttp -63.34 -8.84 9.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 m -106.4 -22.45 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.76 -33.65 4.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.1 94.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.507 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 18.8 m-85 -84.46 -41.09 16.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.26 -32.58 21.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -90.78 -58.69 1.48 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.24 -43.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD2' ' HD2' ' A' ' 71' ' ' ARG . 2.4 tm? -58.27 -47.92 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.41 -47.11 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.99 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -56.35 -44.86 80.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -50.87 -49.06 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.2 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.28 -57.15 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.72 -45.01 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.2 -37.91 11.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.9 mt -76.05 159.84 30.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -77.9 48.77 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.79 148.83 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.63 159.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 111.164 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -18.24 37.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -83.28 -27.73 29.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.33 -36.9 24.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -53.14 -49.44 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.437 ' CB ' ' OD1' ' A' ' 95' ' ' ASP . . . -49.09 -40.45 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -63.88 -51.41 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.05 -24.56 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . 22.2 m-70 -72.67 -48.96 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.67 -26.72 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -80.78 -54.9 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HD2' ' CD2' ' A' ' 48' ' ' LEU . 1.4 mmm180 -41.02 -46.86 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.75 -40.21 66.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -60.89 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -38.15 -46.12 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' LEU . 8.5 m-70 -62.78 -61.05 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.6 mt -41.05 -43.04 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 13.4 mptt -71.88 -34.37 69.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' HIS . 18.3 mt -92.64 37.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 45.27 42.61 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -119.54 39.33 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -51.8 -41.41 61.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.69 -63.25 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' ALA . 34.3 mttp -61.46 -50.9 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.81 -55.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -40.26 -49.15 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -64.23 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.6 mm-40 -41.59 -56.08 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -36.89 -59.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 p -49.02 -56.45 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -45.43 -32.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 68' ' ' HIS . . . -73.91 -34.83 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.85 -57.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 12.9 pt-20 -46.8 -47.94 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 22.7 mmtm -40.91 -62.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 5.6 m-20 -90.5 -69.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.93 -49.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.507 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.81 54.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.81 95.61 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 20.9 m -67.33 -15.16 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -51.92 -44.96 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.23 -31.47 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.0 -44.98 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.08 -49.07 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -64.25 -24.96 67.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -65.82 -60.97 2.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.3 p -45.35 -45.86 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.81 -38.62 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.47 -53.55 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 27.0 mt -46.28 -45.65 17.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -58.3 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -73.88 -22.67 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -83.71 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.42 -1.2 60.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -97.01 95.44 7.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.3 mt -88.36 -38.56 15.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.73 -50.24 72.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -50.12 75.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -41.99 -42.31 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.18 -60.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.9 mt -50.87 -45.21 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.0 mt -64.87 -35.14 80.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -45.54 -56.95 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -56.71 -36.71 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.12 -34.94 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 80.9 t -90.32 -43.28 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 t -51.51 -29.94 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.483 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -91.14 -29.33 17.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -122.99 87.14 50.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -1.73 8.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -109.13 -39.53 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.643 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 1.8 m-20 -59.06 99.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 134' ' ' VAL . 15.5 pttt -78.04 -28.42 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.465 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 90.4 t -46.66 -29.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.643 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 7.6 m-85 -78.4 -45.28 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -58.11 -42.92 86.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.27 -34.32 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.05 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.99 -42.17 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -62.49 -13.1 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -81.55 -54.66 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.5 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' GLU . 19.8 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.924 0.392 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.06 -25.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' SER . 15.2 tt0 -81.49 -45.22 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.1 tp60 -84.94 -65.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.4 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -40.37 -55.17 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -47.09 -44.68 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -41.84 -41.82 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -65.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -49.23 -47.99 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -49.62 -38.65 32.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.55 -19.19 53.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -79.48 -48.36 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.61 -9.55 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 t -106.03 -18.93 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 112.74 -35.62 4.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.49 96.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 19.6 m-85 -80.35 -48.64 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.93 -33.39 20.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.22 -59.63 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.79 -36.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.53 -47.05 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.89 -40.8 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.31 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 22.8 m-85 -54.08 -30.7 49.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -61.16 -57.58 11.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -52.93 -55.13 25.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.61 -57.11 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.51 -41.69 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.8 14.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 71.2 mt -78.23 147.21 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.89 86.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -103.54 163.16 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 160.54 68.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.625 0.726 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.43 30.79 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.36 -27.6 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.87 -45.93 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 45.6 mt-30 -45.12 -60.87 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' A' ' 94' ' ' LYS . . . -39.01 -45.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.49 -37.04 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.08 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLN . 4.9 mt -75.1 -50.21 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -49.33 -49.28 44.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' O ' ' CZ ' ' A' ' 104' ' ' ARG . 7.7 ptm180 -66.08 -27.16 67.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 8.0 m-20 -74.23 -32.68 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -70.5 -40.78 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.02 -29.75 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.13 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.7 m -44.3 -55.58 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' LEU . 59.0 m-70 -44.53 -61.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -41.49 -35.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -81.02 -32.19 34.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' HIS . 10.6 mt -95.32 42.65 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 42.04 46.46 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.441 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 27.8 m-20 -124.02 37.81 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 111' ' ' LYS . 9.7 m-85 -53.71 -39.92 65.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.18 -59.07 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -64.79 -43.78 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.61 -44.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.15 -57.43 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.3 m -53.79 -57.61 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -42.89 -58.3 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 m -56.07 -44.95 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.28 -21.34 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.86 -8.05 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.0 mt -91.92 -43.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -52.84 -52.5 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.424 ' CB ' ' HB1' ' A' ' 65' ' ' ALA . 1.1 mptp? -37.21 -71.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 95' ' ' ASP . 27.4 t0 -77.84 -61.65 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.05 -49.0 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.49 49.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -99.43 119.58 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.4 m -85.77 -26.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -51.7 -42.68 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.75 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.2 -57.96 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -46.62 -35.72 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.404 ' CZ ' ' O ' ' A' ' 69' ' ' ARG . 11.2 mtt85 -71.11 -45.13 64.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -50.33 -52.86 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' GLN . 79.5 p -45.2 -50.17 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' SER . 25.0 mt-30 -38.06 -52.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -66.09 -55.99 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.468 HD22 ' CD ' ' A' ' 114' ' ' ARG . 80.2 mt -39.91 -52.4 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.458 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 14.9 mm-40 -61.33 -31.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.575 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -73.15 -38.7 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.28 3.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 115' ' ' LEU . . . 92.67 -46.9 2.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 114' ' ' ARG . 2.3 ptp180 -44.97 90.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' GLY . 6.9 mt -91.77 -40.33 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.6 -29.11 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.57 ' NE2' ' N ' ' A' ' 117' ' ' GLN . 2.2 mp0 -81.87 -48.41 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.33 -43.88 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.78 -44.19 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.59 -27.21 68.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.61 -47.49 12.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' CYS . 32.5 mt -63.69 -52.23 61.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LEU . 74.3 mt-30 -37.68 -28.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 122' ' ' LEU . 14.8 mtt-85 -75.64 -44.93 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 122' ' ' LEU . 77.1 m -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.81 -39.99 87.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.5 t -66.32 -45.65 79.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -72.82 -30.92 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.69 87.44 55.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -9.81 27.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -100.58 -52.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -44.66 96.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -71.6 -20.01 62.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.482 HG23 ' CD1' ' A' ' 135' ' ' PHE . 12.8 m -59.21 -21.89 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.482 ' CD1' HG23 ' A' ' 134' ' ' VAL . 12.2 m-85 -88.78 -46.23 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.16 -26.41 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -85.71 -34.08 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.42 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -58.59 3.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -64.65 -10.13 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -82.02 -17.31 47.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.948 0.404 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 54' ' ' ALA . 3.4 p -41.39 -35.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.82 -49.28 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' LEU . 1.4 tm0? -81.78 -68.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -34.33 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.1 ttp85 -36.8 -51.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -52.75 -46.99 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -40.58 -39.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.99 -59.94 5.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 39' ' ' PHE . 7.6 m-80 -55.52 -57.01 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -39.47 -37.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 mt -81.28 -32.72 33.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' ASN . 32.6 t80 -68.62 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -6.07 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.5 m -104.89 -21.83 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.77 -34.46 4.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.52 98.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.499 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 21.1 m-85 -86.66 -46.82 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 -35.23 7.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.24 -54.99 2.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.94 -54.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 49' ' ' ALA . 3.4 tm? -49.85 -57.57 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' N ' HD11 ' A' ' 48' ' ' LEU . . . -43.51 -52.12 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.79 -46.31 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.15 -46.14 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -45.98 -56.52 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.67 -62.78 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 28' ' ' VAL . . . -38.22 -42.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.91 -43.72 57.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.3 -38.36 12.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.05 157.11 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -78.96 45.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . . . -57.53 169.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -59.72 157.22 29.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -3.96 13.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -94.9 -27.83 15.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.09 -46.31 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.45 -24.56 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.76 -63.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 67' ' ' LEU . 10.7 p -49.29 -32.59 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.406 ' N ' HG13 ' A' ' 66' ' ' VAL . 12.0 mt -73.99 -47.52 36.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -51.22 -52.74 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.2 ptp180 -57.82 -43.44 85.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 6.7 m-20 -58.31 -52.84 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ALA . 35.1 mtm180 -41.5 -51.05 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -37.17 -49.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.27 -53.96 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.6 m -44.01 -48.92 8.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.428 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 20.3 m-70 -65.86 -56.5 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.513 HD23 ' CD2' ' A' ' 81' ' ' TYR . 91.7 mt -40.65 -43.9 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.499 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 2.4 mptm? -68.57 -46.36 69.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.46 41.99 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 38.82 47.83 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.428 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 17.0 m-20 -120.2 37.26 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 59.9 m-85 -47.56 -49.7 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -39.59 -63.49 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -66.36 -44.21 83.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.54 -54.23 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.11 -51.56 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.4 m -52.54 -56.39 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -45.73 -48.76 15.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.97 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.7 p -51.47 -46.46 63.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -50.15 -39.62 44.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.93 59.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.42 -40.17 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 5.3 pt-20 -69.15 -35.15 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 39.6 mmtt -53.6 -60.81 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -96.99 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.67 -48.43 0.95 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.05 56.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.02 85.52 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.821 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 28.1 m -63.54 -29.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -47.31 -55.71 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.402 ' HB1' ' CB ' ' A' ' 69' ' ' ARG . . . -63.41 -38.8 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.0 mt -52.98 -46.76 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.87 -43.27 90.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' ARG . 13.5 mtp85 -66.45 -51.27 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' ARG . 43.4 ttt180 -38.07 -59.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -41.28 -44.88 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -43.46 -41.3 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.04 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.5 mt -42.92 -61.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -51.09 -47.62 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 11.0 tptt -53.85 -38.21 64.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.68 28.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.28 30.58 55.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -106.38 48.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -56.11 -33.12 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -64.7 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -80.41 -45.36 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.46 -46.83 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.433 ' CG2' HD12 ' A' ' 142' ' ' ILE . 45.3 t -62.52 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.4 mt -46.23 -44.56 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.32 -54.92 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' A' ' 142' ' ' ILE . 33.0 mt -55.7 -44.23 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 122' ' ' LEU . 32.2 mt-30 -37.57 -31.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -78.88 -57.59 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.4 p -49.17 -28.24 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.428 HG22 ' CB ' ' A' ' 135' ' ' PHE . 57.5 t -83.57 -28.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.9 t -77.59 -56.77 4.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.478 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 5.7 mt -57.27 -29.78 64.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.421 ' CG ' HG21 ' A' ' 99' ' ' VAL . 10.5 mm-40 -118.73 100.0 51.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -37.32 9.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 133' ' ' LYS . 47.4 mtmt -76.65 -52.14 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.567 ' HB3' ' CE2' ' A' ' 135' ' ' PHE . 3.3 m120 -38.97 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 131' ' ' LYS . 26.7 tttm -77.35 -42.21 37.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 133' ' ' LYS . 84.8 t -35.84 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 132' ' ' ASN . 18.0 m-85 -72.89 -48.86 33.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 80.6 mt-30 -56.36 -47.31 79.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -63.67 -34.08 77.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.62 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -53.72 52.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -65.9 -34.53 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -58.04 -38.31 76.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.448 HD11 ' CD1' ' A' ' 122' ' ' LEU . 27.6 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 30' ' ' GLN . 21.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 p -38.23 -39.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -68.18 -41.45 81.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.1 tp60 -86.42 -66.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.39 -27.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.3 ttp180 -38.36 -49.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -54.68 -48.13 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -38.93 -36.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.08 -60.44 3.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.2 m-20 -56.47 -52.65 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.7 -34.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -81.95 -28.83 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.4 t80 -66.55 -46.16 77.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.2 -7.27 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.5 m -102.08 -23.46 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.05 10.08 30.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.84 92.69 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 7.9 m-85 -77.79 -35.81 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.53 -35.93 87.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -88.64 -57.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.34 -41.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 3.0 tm? -65.96 -43.08 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -52.37 -45.67 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.97 71.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -52.98 -40.3 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.5 m -53.23 -59.21 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -48.86 -57.93 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.17 -55.25 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.38 -30.87 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.7 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 59' ' ' ALA . 54.1 mt -139.98 146.43 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.71 76.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.47 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -109.55 157.58 18.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 159.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 111.168 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.37 22.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -73.8 -24.39 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.38 -41.59 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.7 mt-30 -55.18 -43.24 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 90.5 t -56.78 -27.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.07 -43.88 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -60.43 -26.78 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 86.1 m-20 -76.05 -52.09 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.419 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 68.0 mtp180 -46.8 -44.84 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.99 -58.67 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.03 -59.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 7.4 m -44.49 -53.78 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 78' ' ' LEU . 5.8 m-70 -55.32 -57.88 10.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.0 mt -38.35 -50.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 23.7 mmtp -61.67 -34.69 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' HIS . 11.1 mt -94.74 40.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 39.23 32.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.84 40.25 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.579 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 5.4 m-85 -50.23 -49.55 52.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' TYR . 6.3 m-20 -33.98 -57.5 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . 19.5 mtpt -72.41 -54.05 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -36.73 -65.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -42.88 -38.5 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' LYS . 71.1 m -77.73 -33.11 53.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.87 -31.59 70.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.17 -46.98 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.453 ' HB2' ' CD ' ' A' ' 105' ' ' ARG . 38.4 t -63.45 -16.5 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -92.75 -26.87 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.26 -9.93 58.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.7 mt -85.53 -61.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.64 -33.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -55.94 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.58 -68.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.72 -44.13 1.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.19 40.38 2.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 1.4 p30 -115.19 69.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 21.7 m -52.74 -22.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -54.44 -42.23 70.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.7 -27.87 50.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.433 ' CZ ' HG13 ' A' ' 134' ' ' VAL . 12.9 t80 -62.76 -20.98 65.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -82.6 -48.1 11.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.453 ' CD ' ' HB2' ' A' ' 89' ' ' SER . 4.1 ttm180 -53.66 -44.33 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.9 p -53.82 -46.18 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -45.14 -38.41 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.84 -45.73 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.5 mt -41.16 -57.26 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.413 ' CD ' HD21 ' A' ' 115' ' ' LEU . 16.5 mm-40 -56.12 -43.26 77.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.579 ' HG3' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -53.13 -45.21 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.7 mt -82.59 19.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.53 7.72 74.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 70.81 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.413 HD21 ' CD ' ' A' ' 110' ' ' GLU . 20.9 mt -82.42 -26.93 32.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.0 -40.66 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -78.61 -46.39 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.18 -38.85 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.89 -54.59 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.1 mt -56.86 -59.52 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.15 -34.41 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 38.6 mt -79.19 -37.97 36.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -56.78 -16.27 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -89.11 -25.8 21.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 73.5 m -67.93 -34.71 77.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.66 -34.15 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.8 t -62.27 -65.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.487 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.0 mp -52.51 -45.32 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -118.48 84.81 24.7 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -5.08 15.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -101.93 -52.0 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -41.09 123.76 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' GLN . 8.9 mptt -85.77 -42.73 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' LYS . 11.6 t -34.82 -34.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 133' ' ' LYS . 13.7 m-85 -79.4 -45.12 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 133' ' ' LYS . 76.1 mt-30 -57.84 -24.15 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.56 -54.45 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -44.27 -32.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.96 -43.86 12.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -65.36 -21.05 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -80.38 -54.34 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.408 HG23 ' CD ' ' A' ' 110' ' ' GLU . 25.0 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 HG23 ' CB ' ' A' ' 54' ' ' ALA . 3.8 p -58.99 -38.07 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -67.81 -37.34 81.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' ARG . 58.0 tt0 -86.77 -71.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' ARG . 0.6 OUTLIER -33.96 -33.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.7 tpt180 -34.23 -58.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -41.61 -49.99 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -42.11 -43.59 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.09 -45.16 89.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -68.2 -59.19 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 48.9 mt-10 -41.86 -48.33 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 46' ' ' GLY . 17.7 mt -64.6 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -68.34 -52.74 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 13.5 ptpt -59.01 -10.63 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.76 -24.02 13.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.51 -34.85 4.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -51.27 97.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.473 ' CZ ' ' HD2' ' A' ' 77' ' ' LYS . 21.7 m-85 -82.69 -46.49 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.4 -36.15 29.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.411 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -84.43 -55.89 2.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.45 -51.86 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.19 -56.07 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.51 -51.85 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.19 -59.26 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -47.97 -38.37 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.0 m -58.09 -59.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.44 -56.84 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' A' ' 28' ' ' VAL . . . -45.14 -49.06 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.79 -32.35 70.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.36 31.64 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.1 mt -137.4 151.31 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.63 86.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -118.23 155.9 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -48.58 157.0 0.77 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.48 23.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -93.6 -35.73 12.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.442 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -78.69 -26.35 44.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 54.7 mt-30 -66.46 -45.09 80.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.43 ' CB ' ' OD1' ' A' ' 95' ' ' ASP . . . -66.32 -56.5 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 63' ' ' ASP . 6.3 p -46.67 -38.66 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.2 mt -69.15 -38.42 78.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.474 ' CE1' ' HE2' ' A' ' 90' ' ' LYS . 13.5 m-70 -57.41 -46.52 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.7 ptt180 -70.37 -33.95 72.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 8.6 m120 -59.45 -51.95 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -43.58 -43.63 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.07 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.17 -59.62 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.89 -48.12 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 58.2 m-70 -50.22 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' HIS . 28.3 mt -37.22 -42.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.473 ' HD2' ' CZ ' ' A' ' 44' ' ' TYR . 56.4 mmtt -67.38 -41.95 84.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.9 mt -83.29 42.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 17.9 mt-10 35.55 32.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' LEU . 90.8 m-20 -109.61 39.62 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 111' ' ' LYS . 77.6 m-85 -41.02 -48.04 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -43.46 -53.78 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -54.29 -45.05 72.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.57 -40.25 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -52.51 -46.79 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -74.6 -38.53 62.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.464 ' HA ' ' CD ' ' A' ' 90' ' ' LYS . 62.8 mm-40 -64.47 -32.98 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 -37.22 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 t -76.16 -23.64 54.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.474 ' HE2' ' CE1' ' A' ' 68' ' ' HIS . 9.6 ptmt -87.12 -25.16 24.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.34 -35.79 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' GLY . 57.5 mt -64.9 -56.35 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -47.28 -45.98 24.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 64' ' ' GLN . 7.7 mmtp -49.75 -49.85 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 17.5 m-20 -88.05 -66.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 122.98 -49.51 0.89 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -123.21 65.15 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -122.29 102.94 8.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 3.1 m -66.27 -29.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HG3' ' NH1' ' A' ' 69' ' ' ARG . 25.3 mmtm -44.88 -59.99 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.09 -60.17 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -47.09 -39.23 12.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 -72.6 -39.74 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -52.57 -38.89 60.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -67.36 -22.65 65.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -72.31 -43.02 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD1' ' OD2' ' A' ' 121' ' ' ASP . 43.2 mt -59.98 -55.62 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -43.27 -42.53 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 21.3 mmtt -71.68 -50.42 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.03 -24.92 60.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.95 31.54 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.483 ' NE ' ' OE1' ' A' ' 117' ' ' GLN . 26.4 mtp85 -121.9 82.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.82 -35.17 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.465 ' HB3' ' NE2' ' A' ' 117' ' ' GLN . 16.9 t0 -49.69 -40.39 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.483 ' OE1' ' NE ' ' A' ' 114' ' ' ARG . 1.7 mp0 -82.12 -43.54 17.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.81 -43.1 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.81 -64.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.3 mt -46.11 -52.21 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 109' ' ' LEU . 24.3 m-20 -50.85 -46.13 60.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 139' ' ' LEU . 31.4 mt -64.37 -45.18 88.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -38.79 -43.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -67.09 -49.12 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 71.1 m -39.54 -47.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.91 -38.17 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -60.19 -40.6 90.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.47 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 10.6 mt -78.84 -42.95 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -115.01 90.21 22.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -25.21 28.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 19.1 ptpt -81.37 -42.13 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.491 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 6.3 m120 -54.83 106.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' VAL . 40.8 mtmt -78.43 -43.27 27.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' LYS . 59.0 t -36.16 -42.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.491 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.2 m-85 -67.37 -48.76 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -50.07 -21.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.415 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 2.1 mm-40 -93.79 -46.38 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.62 -43.64 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.44 ' N ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -65.64 -71.09 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.415 ' CG ' ' HA ' ' A' ' 137' ' ' GLU . 13.6 ptt85 -42.45 -34.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -54.19 -54.73 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.0 pt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.456 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 1.4 p -52.23 -48.11 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -50.49 -39.17 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' ARG . 3.3 tp-100 -86.73 -67.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -37.92 -27.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' GLN . 2.2 ttp85 -40.49 -45.79 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -53.06 -50.92 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -41.23 -40.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.88 -43.9 48.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -69.06 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' N ' ' HE3' ' A' ' 40' ' ' LYS . 51.4 mt-10 -39.56 -44.28 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 47' ' ' ALA . 48.9 mt -68.7 -34.61 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -69.79 -49.68 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 37' ' ' GLU . 13.2 ptpt -62.87 -7.38 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.7 t -105.37 -19.59 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.05 -33.4 5.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.51 98.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 18.5 m-85 -84.95 -44.36 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.57 -30.45 20.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -92.54 -57.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.412 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -38.95 -35.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 111.055 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.66 -46.1 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -49.9 -43.17 49.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.39 -50.97 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -55.79 -36.89 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -55.99 -51.55 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.26 -49.41 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB1' ' CG2' ' A' ' 28' ' ' VAL . . . -43.62 -53.53 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.38 -39.05 91.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.2 -44.84 74.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 59' ' ' ALA . 27.0 mt -75.64 134.01 40.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -55.91 84.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' LEU . . . -99.47 153.37 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -37.58 156.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -13.63 34.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -93.96 -19.16 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.77 -31.23 15.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.6 mt-30 -61.7 -30.32 70.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -77.96 -66.18 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' ALA . 11.4 p -37.53 -36.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.436 HD22 ' CB ' ' A' ' 54' ' ' ALA . 10.5 mt -71.97 -46.08 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' ALA . 19.2 m-70 -52.06 -49.95 62.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.43 -23.21 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.68 -47.04 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 14.2 mtp-105 -57.24 -29.72 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.93 91.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.58 -56.23 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.23 -51.75 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -57.72 -53.24 60.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 81' ' ' TYR . 71.9 mt -47.45 -50.56 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 27.9 mmtm -61.34 -29.13 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.5 mt -97.8 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 4.4 tt0 35.35 45.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ASP . 35.2 t0 -125.77 35.7 4.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.3 m-85 -40.75 -26.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 80' ' ' ASP . 6.9 m-20 -47.27 -68.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.487 ' N ' ' HE3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -61.35 -42.21 98.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.95 -60.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -44.91 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.5 m -38.5 -57.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -52.53 -37.37 57.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' GLU . . . -64.33 -36.3 83.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.4 p -76.01 -27.15 57.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -74.73 -33.06 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.05 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.0 mt -82.42 -52.43 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 14.0 pt-20 -60.8 -39.52 89.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 17.2 mmtt -54.16 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -94.07 -70.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.43 -55.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.17 57.86 2.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -129.19 96.37 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.0 m -73.83 -23.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -53.6 -35.33 60.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.68 -44.48 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt -47.48 -50.73 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.79 -48.42 72.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -54.46 -45.08 73.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -53.32 -54.75 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -48.55 -47.15 39.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.59 -36.92 37.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -82.63 -53.04 6.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 108' ' ' ALA . 78.4 mt -35.76 -56.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -51.17 -55.3 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 6.8 tptt -53.83 -50.74 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.77 -24.29 61.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.97 -17.55 8.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.73 102.01 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.68 -64.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -37.49 -46.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -61.48 -51.21 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.14 -45.67 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.403 HG22 ' CD1' ' A' ' 142' ' ' ILE . 40.6 t -70.42 -44.84 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.3 mt -56.82 -55.57 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 121' ' ' ASP . 0.1 OUTLIER -51.17 -35.64 37.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 124' ' ' ARG . 83.2 mt -70.94 -52.88 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -38.82 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' LEU . 69.2 mtt180 -84.28 -46.25 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' LEU . 19.5 p -58.82 -25.94 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.1 t -77.44 -32.48 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -69.44 -53.12 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.465 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -63.14 -25.71 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.419 ' HG3' ' ND2' ' A' ' 132' ' ' ASN . 31.8 mm-40 -125.08 88.99 53.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.7 12.56 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 133' ' ' LYS . 16.3 mmmt -110.44 -53.3 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' A' ' 129' ' ' GLU . 2.0 m-20 -36.62 95.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 131' ' ' LYS . 13.7 mmtp -73.65 -39.51 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.541 HG23 ' CD1' ' A' ' 135' ' ' PHE . 34.1 m -37.59 -32.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.541 ' CD1' HG23 ' A' ' 134' ' ' VAL . 16.3 m-85 -76.66 -51.07 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -51.93 -28.88 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.93 -47.29 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.79 -36.39 64.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.96 -58.86 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -66.77 -35.52 80.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -52.97 -27.8 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.403 ' CD1' HG22 ' A' ' 119' ' ' VAL . 28.2 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.44 HG22 ' CB ' ' A' ' 54' ' ' ALA . 1.5 p -40.19 -30.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.6 -46.68 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.7 tp-100 -87.13 -61.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -37.75 -32.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -39.15 -59.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -43.33 -44.56 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -42.16 -41.67 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.97 -52.3 29.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -54.98 -56.92 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.52 -41.76 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 47' ' ' ALA . 23.3 mt -71.5 -35.34 70.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.4 t80 -66.72 -50.96 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -63.16 -7.33 5.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.14 -23.51 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 -32.7 5.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.35 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -83.33 -49.2 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.14 -32.04 9.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.7 -56.48 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.419 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -37.53 -41.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.41 -48.93 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.7 -51.7 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.23 -55.86 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -50.08 -33.93 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.0 m -60.28 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -48.2 -51.21 26.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' CB ' HG22 ' A' ' 28' ' ' VAL . . . -49.61 -50.9 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD1' ' CZ ' ' A' ' 71' ' ' ARG . 19.3 mt -63.63 -46.03 87.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.29 -44.24 27.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.23 148.15 47.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -73.27 85.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.59 174.64 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.28 159.19 31.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.165 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.29 36.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.312 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -89.76 -17.86 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.35 -31.99 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.55 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 13.5 mt-30 -59.91 -21.46 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -83.13 -63.18 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 67' ' ' LEU . 10.9 p -42.46 -36.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.437 ' N ' HG13 ' A' ' 66' ' ' VAL . 17.7 mt -75.53 -31.49 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 7.7 m-70 -67.7 -54.05 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -61.23 -27.22 68.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 2.8 m-80 -78.16 -56.33 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 55' ' ' LEU . 16.6 mtm180 -39.57 -45.78 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.48 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -41.58 -50.42 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -43.55 -63.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.4 m -38.36 -56.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -54.89 -59.08 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 81' ' ' TYR . 22.0 mt -43.68 -45.25 6.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -64.93 -35.94 82.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.41 35.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 51.19 46.7 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -126.11 74.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.63 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 18.6 m-85 -88.31 -34.7 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.29 -37.61 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -86.1 -46.27 10.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.9 -57.65 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.77 -48.42 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -56.34 -59.73 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 44.1 mt-10 -46.35 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.99 -60.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.3 t -40.89 -56.37 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -49.17 -48.96 44.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.23 -62.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.449 ' CD1' ' HG ' ' A' ' 102' ' ' LEU . 70.2 mt -52.24 -25.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.52 -37.17 32.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -59.51 -50.07 75.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.24 -70.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.96 -41.67 1.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.15 53.88 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.13 92.34 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 17.8 m -64.02 -35.72 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 99' ' ' VAL . 14.3 mmmm -37.48 -38.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.46 -37.71 25.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' ' 92' ' ' ILE . 7.9 mt -58.28 -40.73 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -69.03 -27.99 66.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -83.33 -32.55 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.8 -45.06 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.8 p -50.5 -45.55 56.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -49.58 -35.05 19.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.08 -55.55 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.1 mt -44.17 -42.72 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -56.69 -54.38 46.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.63 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -62.53 -26.81 68.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.84 -0.33 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.53 8.51 87.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -97.81 57.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 116' ' ' ASP . 50.6 mt -55.89 -60.49 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' LEU . 3.3 m-20 -35.3 -42.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -68.88 -50.91 45.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -38.55 -47.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.0 t -63.77 -42.43 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.4 -51.14 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.1 -17.09 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.3 mt -92.85 -39.49 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.75 -20.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -88.01 -32.69 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.408 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 94.7 m -54.68 -27.11 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.24 -39.5 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.8 t -61.99 -35.88 79.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -83.85 -38.98 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -126.45 84.01 63.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.743 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.03 20.02 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -99.35 -28.05 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.688 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 0.9 OUTLIER -66.1 76.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -46.86 -40.61 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.468 ' N ' ' HG2' ' A' ' 133' ' ' LYS . 28.5 m -39.11 -40.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.688 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 13.9 m-85 -72.13 -52.51 16.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -43.72 -29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -92.65 -52.1 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -41.94 -31.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -57.54 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -34.82 76.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.5 -37.14 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.922 0.392 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.46 HG21 ' CB ' ' A' ' 54' ' ' ALA . 3.2 p -50.58 -38.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.27 -34.91 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.4 tp-100 -91.02 -69.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -34.09 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.2 ttp180 -34.96 -51.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -52.5 -49.28 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -39.82 -40.44 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.73 -63.56 3.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.1 m-20 -56.17 -53.9 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -42.65 -42.92 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.3 mt -74.77 -32.2 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 36' ' ' ASN . 19.1 t80 -68.17 -52.51 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -4.22 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.8 t -103.96 -24.44 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.31 -33.34 4.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -59.34 93.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -80.14 -48.07 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.83 -37.4 35.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -81.52 -55.27 3.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.13 -49.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' ALA . 2.7 tm? -54.74 -55.53 29.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -37.42 -57.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.45 -55.05 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -50.05 -46.45 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.9 m -49.6 -53.23 25.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -56.37 -58.43 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 28' ' ' VAL . . . -36.92 -54.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.09 -44.72 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.06 -42.78 23.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -73.89 148.38 42.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.13 81.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.17 167.98 10.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 p -52.81 156.24 3.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -94.53 -42.85 8.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.05 -43.81 91.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -47.76 -55.17 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.16 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.03 -39.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.02 -42.33 73.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -59.09 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -63.61 -36.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -69.17 -45.1 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -49.44 -51.64 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.4 -40.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB1' ' NH1' ' A' ' 104' ' ' ARG . . . -51.53 -58.22 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.4 m -45.32 -52.82 9.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -57.69 -54.94 41.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.2 mt -40.37 -47.89 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -68.4 -39.67 81.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.26 40.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.9 47.01 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.71 51.26 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.484 ' CD2' ' HG2' ' A' ' 111' ' ' LYS . 44.8 m-85 -63.11 -43.79 97.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.61 -61.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mtpt -61.27 -53.47 56.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.66 -51.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -45.11 -47.44 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' LYS . 17.0 m -63.55 -59.67 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -42.89 -30.48 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.7 -48.06 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.2 t -62.24 -25.47 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -87.09 -35.44 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.6 69.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.86 -63.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -46.81 -31.61 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -52.88 -59.18 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.36 -56.31 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.23 23.6 21.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.26 35.82 0.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -127.1 80.01 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 6.2 m -51.3 -37.45 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' VAL . 19.9 mmtp -35.99 -39.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.19 -54.03 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.3 mt -42.73 -54.69 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -48.15 -43.14 31.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.4 ' NH1' ' HB1' ' A' ' 73' ' ' ALA . 6.1 mmt180 -70.48 -41.43 72.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -51.34 -50.02 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 p -45.38 -44.01 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -49.4 -45.15 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 -43.35 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.6 mt -52.39 -58.45 6.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -50.93 -44.88 60.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.484 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 10.0 tptt -59.41 -37.43 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mt -84.83 28.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 54.23 30.58 48.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -106.47 41.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.5 mt -52.4 -38.16 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.23 -38.54 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -78.06 -47.15 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.29 -39.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.56 -55.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.25 -44.27 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -49.18 78.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.57 -43.97 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.431 ' HG2' ' CD1' ' A' ' 139' ' ' LEU . 24.2 mt-30 -42.6 -40.59 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 127' ' ' SER . 43.1 mtt-85 -59.88 -53.81 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.506 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 40.9 m -38.2 -59.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.9 t -48.06 -35.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.4 t -57.35 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.486 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 1.9 mp -55.46 -46.33 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 132' ' ' ASN . 23.5 mm-40 -119.25 99.86 50.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.74 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -24.65 29.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -88.16 -46.5 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.7 m120 -36.39 117.3 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 136' ' ' GLN . 12.5 ttpt -87.47 -45.07 10.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 133' ' ' LYS . 77.0 t -35.48 -33.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 27.0 m-85 -73.16 -47.46 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 133' ' ' LYS . 64.9 mt-30 -57.37 -50.96 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.3 pt-20 -57.51 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 137' ' ' GLU . . . -63.9 -58.88 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 123' ' ' GLN . 1.0 OUTLIER -63.94 -39.36 93.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -66.52 -29.01 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 56.8 m-20 -69.45 -50.99 40.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 49.1 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -165.86 167.53 16.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -146.66 169.34 19.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.813 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.93 -167.24 37.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -168.58 148.57 4.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -148.31 143.57 26.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.35 -88.7 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ptm 38.78 37.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -95.91 25.17 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.8 t -107.13 148.84 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.2 m -128.62 129.09 45.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.1 146.38 4.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -46.68 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.96 -167.02 18.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 t -173.29 141.39 0.93 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 111.117 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 174.11 10.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -162.87 146.09 8.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.07 25.52 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.712 2.274 . . . . 0.0 112.362 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -147.21 144.48 19.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.902 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 159.63 52.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.04 86.86 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -169.1 141.81 2.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.72 . . . . 0.0 111.114 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 159.12 54.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.07 -43.46 2.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.61 94.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -81.71 50.29 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' GLN . 16.8 m -98.94 123.97 43.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 27' ' ' SER . 3.7 p -35.27 -40.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 5.5 pt-20 -58.72 -46.68 86.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' SER . 38.0 tt0 -90.64 -68.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.38 -42.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' LEU . 31.5 ttt180 -36.55 -49.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -46.78 -44.78 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.1 tt0 -42.98 -44.45 4.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.55 -64.03 4.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.415 ' C ' ' HE3' ' A' ' 40' ' ' LYS . 13.1 m-80 -54.54 -46.58 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -51.08 -41.41 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 47' ' ' ALA . 19.5 mt -73.79 -30.55 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -69.35 -49.09 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.7 ptpt -61.32 -8.91 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -104.88 -21.58 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.15 -29.24 7.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.95 93.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.58 -46.31 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.27 -38.61 26.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -82.31 -53.67 3.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.449 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.459 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -36.44 -50.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 2.7 tm? -58.88 -53.98 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.47 -51.77 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.46 -54.23 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -53.44 -35.31 60.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -58.94 -58.74 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.6 -51.83 52.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.55 -47.73 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.411 HD11 ' NH2' ' A' ' 71' ' ' ARG . 16.2 mt -68.38 -27.23 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.46 33.23 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -137.1 -179.42 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -88.55 60.18 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.18 166.18 16.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 159.79 80.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.51 36.08 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.366 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -85.47 -23.01 28.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.43 -33.33 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -57.16 -35.3 69.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.0 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.15 -32.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.86 -41.37 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -56.67 -51.88 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -63.7 -24.42 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -76.36 -41.15 49.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' NH2' HD11 ' A' ' 55' ' ' LEU . 14.9 mtt180 -53.67 -43.52 68.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.64 66.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.92 -50.11 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.2 m -59.8 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' LEU . 22.5 m-70 -54.67 -59.16 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.5 mt -39.45 -48.96 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -65.89 -32.77 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' HIS . 7.4 mt -96.16 46.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' LEU . 6.1 tt0 36.3 47.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.453 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 9.6 m-20 -121.42 43.01 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.47 ' CE1' ' HE2' ' A' ' 111' ' ' LYS . 6.3 m-85 -55.48 -50.5 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.43 -55.81 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' ALA . 27.9 mttt -72.12 -51.72 20.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.68 -49.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -52.33 -56.77 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.3 m -53.37 -57.55 10.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.74 -53.22 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.93 -52.98 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.0 t -49.61 -46.26 49.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.12 -34.5 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.25 -20.3 37.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -83.64 -37.66 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.26 -42.73 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -45.7 -57.05 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -110.92 -70.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 129.12 -35.36 2.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.35 23.64 26.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.02 80.27 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.474 HG12 ' CB ' ' A' ' 128' ' ' LEU . 6.6 m -62.45 -19.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -55.87 -56.74 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.09 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.23 -51.25 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -60.51 -28.91 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -84.77 -39.88 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.429 ' NH2' ' OD1' ' A' ' 121' ' ' ASP . 15.8 ttp180 -55.3 -50.62 69.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -51.58 -49.22 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -48.97 -43.71 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.3 -51.77 48.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 112' ' ' LEU . 47.5 mt -50.41 -54.8 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -40.85 -36.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.47 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 9.3 mptt -77.7 -39.96 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 109' ' ' LEU . 45.1 mt -64.62 -23.35 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.65 -7.2 27.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -89.69 91.39 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 116' ' ' ASP . 20.7 mt -79.7 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.1 m-20 -36.34 -47.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.05 -52.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.56 -35.97 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.454 HG22 ' CD1' ' A' ' 142' ' ' ILE . 21.4 t -72.53 -44.94 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.7 mt -52.45 -54.41 32.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.429 ' OD1' ' NH2' ' A' ' 105' ' ' ARG . 74.0 m-20 -53.92 -50.48 66.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' CYS . 40.6 mt -55.72 -52.1 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -40.98 -33.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -74.07 -39.48 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 122' ' ' LEU . 60.4 m -54.33 -34.1 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.9 t -66.61 -38.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.0 t -61.47 -61.56 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.474 ' CB ' HG12 ' A' ' 99' ' ' VAL . 2.8 mm? -50.12 -55.23 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.89 88.78 8.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.697 0.76 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.26 9.9 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -106.61 -43.25 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -51.92 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 135' ' ' PHE . 17.8 mtpt -71.38 -34.69 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 133' ' ' LYS . 69.9 t -35.55 -31.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 133' ' ' LYS . 19.4 m-85 -82.14 -51.69 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -47.39 -25.23 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -95.68 -53.02 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.6 -28.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.429 HD22 ' CB ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -68.58 -59.68 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.9 -18.74 63.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.48 -33.2 73.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.454 ' CD1' HG22 ' A' ' 119' ' ' VAL . 5.1 pt -105.29 -22.91 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.3 t -70.39 -30.72 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 49.45 -158.62 1.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 164.16 35.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.6 t -99.78 134.37 42.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.6 m -132.03 166.88 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -161.14 135.2 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -155.77 169.49 24.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -179.48 -41.64 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 67.2 m -35.58 146.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.816 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -163.17 168.85 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.15 145.27 4.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.68 136.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.2 p -134.47 158.61 43.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 p -114.7 141.93 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -166.21 140.07 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.85 154.33 17.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.7 48.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.06 74.46 1.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 88.4 m -126.08 138.17 31.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.173 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 53.6 Cg_endo -69.76 158.61 56.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -109.28 144.27 29.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 144.8 55.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.4 mtp-105 -102.13 144.07 27.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.78 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.34 -179.8 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -171.42 141.45 1.31 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.164 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 102.91 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.262 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.22 79.66 0.29 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.28 46.15 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -104.67 -34.85 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 m -64.98 116.8 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.801 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.43 HG23 ' CB ' ' A' ' 54' ' ' ALA . 2.7 p -55.04 -24.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -78.36 -46.45 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' LEU . 2.9 tp60 -82.54 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -35.56 -40.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' LEU . 12.0 ttt180 -34.85 -54.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -40.1 -48.89 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -45.65 -43.46 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.36 -62.06 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.4 m-20 -59.05 -57.51 12.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 8.1 mm-40 -39.48 -41.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 47' ' ' ALA . 60.0 mt -72.18 -35.89 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.3 t80 -68.25 -52.95 28.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -55.65 -13.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.1 t -104.45 -24.43 13.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.78 -29.32 6.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.78 89.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -80.58 -47.16 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.95 -35.56 18.33 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.86 -51.15 3.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -41.23 -43.65 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.0 -51.35 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.53 -50.32 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.63 -52.13 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -52.24 -43.67 64.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -47.19 -59.27 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -50.86 -63.52 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' CB ' HG23 ' A' ' 28' ' ' VAL . . . -38.56 -45.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.2 -42.53 83.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.72 -46.34 30.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.09 159.1 24.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -80.35 46.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.99 160.64 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.81 157.5 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -18.26 36.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -84.91 -31.37 23.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -38.37 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -57.65 -55.38 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.46 ' CB ' ' OD1' ' A' ' 95' ' ' ASP . . . -45.3 -40.97 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.46 -55.54 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.2 -30.81 51.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -65.45 -58.21 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -62.44 -21.59 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -79.08 -54.86 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 72' ' ' ALA . 21.8 mtm180 -44.39 -55.02 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.62 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.2 m -43.03 -47.79 5.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 78' ' ' LEU . 37.7 m-70 -58.21 -61.45 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -40.32 -44.23 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -70.02 -35.47 74.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.1 mt -92.32 45.42 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.9 mt-10 36.32 46.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -121.09 45.97 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.416 ' CE1' ' HD3' ' A' ' 111' ' ' LYS . 35.0 m-85 -56.9 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -38.05 -57.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.8 mtpt -69.31 -44.15 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.89 -57.19 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -49.41 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.4 m -54.68 -54.14 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.55 -45.37 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.72 -52.03 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.0 p -50.3 -46.53 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -62.65 -41.31 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.18 98.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.01 -65.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 11.6 pt-20 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 16.3 mmtp -50.2 -55.76 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 4.0 m-20 -94.84 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.89 -42.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.59 55.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -120.1 89.05 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.4 m -69.13 -29.34 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -46.96 -43.08 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.2 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 mt -52.92 -42.4 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -59.17 -28.96 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -85.89 -38.18 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -55.29 -35.17 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.4 p -69.88 -26.38 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.87 -41.16 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.98 -48.67 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.2 mt -46.91 -51.18 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.16 -50.53 48.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.416 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 2.2 mptp? -62.29 -33.52 74.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.4 24.37 0.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.28 26.45 50.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -106.21 57.35 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.81 -32.99 74.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.24 -33.28 74.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.405 ' N ' ' CD ' ' A' ' 117' ' ' GLN . 2.2 mp0 -84.48 -38.22 20.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.21 -38.51 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.36 -50.31 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.0 mt -56.24 -61.78 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.14 -39.2 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 54.0 mt -75.79 -40.8 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -47.79 -20.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -87.01 -53.18 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.58 -22.96 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 92.3 t -79.74 -25.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.1 t -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.465 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 9.2 mt -54.14 -31.53 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -130.1 88.45 48.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -24.23 29.74 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -83.68 -39.04 20.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.4 m-80 -52.78 95.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -71.26 -35.0 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.0 t -45.78 -30.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.478 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 17.0 m-85 -78.51 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.76 -39.31 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.8 pt-20 -68.19 -33.29 74.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.464 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -75.57 -41.26 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 141' ' ' ASN . 34.8 tp -67.27 -59.04 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -44.06 -22.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 138' ' ' ALA . 51.4 m-20 -70.62 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.514 ' CG1' ' N ' ' A' ' 143' ' ' SER . 5.5 pt -73.9 -46.46 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.514 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 13.4 t -54.65 -46.49 73.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -55.88 146.2 31.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 146' ' ' SER . 53.9 Cg_endo -69.69 86.26 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 145' ' ' PRO . 4.8 t 34.61 45.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.1 t -103.66 88.4 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -174.9 161.77 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -136.02 171.76 14.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.85 -176.59 35.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -140.61 179.89 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 p -74.29 -67.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.74 -160.72 19.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.8 tpp -158.04 141.61 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -118.13 149.48 40.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.9 t -154.36 133.21 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -115.72 172.39 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.42 83.46 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 174.99 8.78 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.49 133.11 6.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -124.37 66.52 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 111.177 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' GLU . 54.3 Cg_endo -69.77 -168.17 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.626 2.217 . . . . 0.0 112.332 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . 7.3 pt-20 -37.25 144.14 0.32 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.729 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 84.06 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.395 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -107.96 140.01 21.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.74 2.47 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.01 39.38 23.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -146.35 140.52 15.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.721 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.79 14.75 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.688 2.258 . . . . 0.0 112.377 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.19 60.98 1.58 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.54 50.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.2 m -110.14 75.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.4 m -123.91 121.69 36.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -56.51 -23.11 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.75 -41.77 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -90.95 -65.73 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -39.32 -34.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -39.36 -43.14 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.1 -42.6 99.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.4 tp10 -43.62 -36.37 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.88 -55.51 4.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -52.23 -46.78 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 6.4 pt-20 -59.57 -28.92 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 47' ' ' ALA . 14.6 mt -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -74.11 -48.58 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 6.1 ptpt -51.29 -16.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.3 m -103.35 -24.74 13.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 118.51 -28.92 6.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.468 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.0 93.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 15.1 m-85 -80.25 -49.45 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.17 -27.76 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.427 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -91.57 -57.01 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -37.3 -40.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.68 -42.53 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.9 -45.32 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -52.79 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.11 -31.31 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 m -63.69 -59.23 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -49.51 -53.32 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . . . -45.54 -41.12 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -33.92 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.12 36.95 2.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.0 mt -142.67 155.19 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.12 85.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' OE1' ' A' ' 64' ' ' GLN . . . -119.5 141.23 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.55 159.52 0.68 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.704 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.48 28.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.325 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.24 -23.76 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.25 -37.93 31.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.411 ' OE1' ' CB ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -57.13 -58.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.0 -39.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.51 -55.52 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 54' ' ' ALA . 12.1 mt -56.7 -25.62 54.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -71.27 -52.88 16.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -58.79 -26.08 63.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.58 -53.81 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -44.07 -51.01 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.72 -47.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.74 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.3 m -46.36 -55.54 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -54.96 -50.5 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 81' ' ' TYR . 58.9 mt -48.87 -52.73 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -62.41 -33.39 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' GLU . 8.6 mt -90.67 45.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 5.8 tm-20 33.4 50.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -129.54 49.6 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.557 ' CD2' HD22 ' A' ' 76' ' ' LEU . 34.9 m-85 -60.8 -37.07 80.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.57 -53.47 18.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' ALA . 83.8 mttt -70.35 -53.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -37.51 -44.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -49.58 -48.56 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 m -57.37 -55.53 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' ALA . 81.5 mm-40 -49.68 -62.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.47 -58.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -54.02 -52.11 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -49.2 -48.17 45.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.43 -20.95 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' GLY . 97.9 mt -85.43 -59.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -54.89 -15.59 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -70.33 -59.2 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -107.45 -37.7 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 99.67 -54.24 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.82 59.64 4.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -123.11 77.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 18.2 m -57.99 -24.87 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -55.13 -56.42 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.36 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.97 -50.9 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -59.81 -37.1 78.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -69.09 -48.6 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -49.18 -41.7 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.1 p -53.64 -43.21 68.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.96 -46.98 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.71 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.5 mt -65.83 -59.3 4.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.83 -28.59 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.2 tppt? -77.45 -51.27 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.88 -22.71 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 34.35 3.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -118.09 59.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.29 -25.28 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -64.59 -38.84 92.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -81.24 -44.39 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.37 -36.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.463 HG22 ' CD1' ' A' ' 142' ' ' ILE . 63.4 t -66.57 -55.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.6 mt -52.45 -51.97 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.08 -44.47 87.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.7 mt -67.96 -29.89 69.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -62.72 -18.28 62.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -86.16 -56.02 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 31.5 p -48.7 -21.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.9 t -85.65 -29.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.6 t -72.56 -57.49 4.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.476 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.9 mt -61.67 -18.97 61.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 132' ' ' ASN . 12.5 mt-10 -135.04 95.56 15.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -43.59 2.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' LYS . 25.2 mtpt -71.78 -38.35 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.547 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.8 m-80 -47.14 91.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' LYS . 7.7 ttmt -74.26 -37.23 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 87.4 t -39.98 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.3 m-85 -79.48 -55.65 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -50.6 -46.04 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.55 -33.5 73.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -79.33 -33.67 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -46.46 -21.21 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -68.94 -60.95 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.522 ' CG1' ' N ' ' A' ' 143' ' ' SER . 4.4 pt -80.34 -45.53 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.522 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 34.0 t -59.6 -36.37 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -72.12 149.48 44.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 94.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.0 t 38.46 43.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.5 t -121.35 95.28 4.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -164.33 160.54 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -147.56 175.89 10.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.91 -142.23 13.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t 64.06 44.1 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p -77.48 170.41 16.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.91 159.13 29.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mmt -144.14 113.96 7.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -124.5 155.05 39.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -130.95 111.22 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -124.25 165.62 17.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.01 146.22 18.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -177.23 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.71 78.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.3 t -110.89 142.17 25.67 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 110.93 2.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -175.02 150.94 1.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 149.47 66.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 19' ' ' ARG . 2.4 ppt_? -104.28 143.92 27.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.86 62.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.294 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.84 177.37 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -113.61 140.63 24.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 139.75 40.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.56 -70.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 39.45 49.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -112.25 84.55 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.2 t -110.5 136.08 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 54' ' ' ALA . 3.2 p -42.98 -33.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -81.79 -41.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.25 -64.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.2 pp -42.99 -28.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -38.8 -45.98 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -55.5 -41.17 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tp10 -47.48 -38.64 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.15 -63.5 3.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -54.87 -53.07 60.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.96 -39.93 9.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -74.13 -33.61 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -68.37 -50.85 50.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -60.89 -9.25 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 t -104.43 -22.78 13.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.43 -29.05 7.83 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.35 92.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -79.51 -47.26 15.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.36 -34.74 9.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -87.79 -53.83 2.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -38.07 -48.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.58 -49.75 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.04 -40.87 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.08 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -55.92 -37.78 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.5 m -53.75 -54.49 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -57.02 -58.82 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.461 ' CB ' HG21 ' A' ' 28' ' ' VAL . . . -40.14 -43.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 mt -73.48 -39.55 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.93 -44.36 55.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.1 mt -67.13 160.17 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.07 82.23 8.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -101.95 169.85 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -55.69 158.75 5.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.24 35.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -87.55 -35.24 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -68.67 -45.35 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 19.5 mt-30 -51.29 -55.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.91 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.29 -37.14 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' CD1' ' HB1' ' A' ' 54' ' ' ALA . 16.4 mt -73.84 -32.6 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -64.07 -50.38 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 100' ' ' LYS . 7.4 ptm180 -59.85 -20.88 59.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -84.16 -55.95 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -37.05 -53.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . -41.24 -59.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . . . -36.7 -50.31 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.31 -50.36 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -56.56 -52.19 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD21 ' CD2' ' A' ' 81' ' ' TYR . 69.3 mt -48.51 -49.71 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -64.68 -37.08 86.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.3 mt -86.32 39.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 37.64 43.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -120.85 43.14 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CD2' HD21 ' A' ' 76' ' ' LEU . 31.9 m-85 -55.03 -31.24 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.42 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -69.05 -35.87 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -45.53 -60.02 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -46.7 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.8 m -50.6 -54.67 20.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.77 -52.71 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.35 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.3 t -52.83 -43.91 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -55.86 -40.84 73.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.65 79.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' GLY . 80.2 mt -68.84 -58.78 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.27 -46.81 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -41.47 -57.02 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -104.86 -68.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 129.49 -48.45 0.97 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -96.14 47.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -108.46 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 11.6 m -73.9 -15.16 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 43.2 mmtt -62.23 -56.48 18.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.88 -30.05 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.12 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -42.8 -34.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -77.76 -52.06 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -38.84 -59.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.2 p -41.07 -48.28 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 111' ' ' LYS . 93.6 mm-40 -42.3 -45.39 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -71.28 -59.01 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 108' ' ' ALA . 87.4 mt -37.72 -54.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.8 -39.1 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -75.09 -24.88 58.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt -88.29 5.87 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.93 19.16 65.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -105.56 82.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.0 -51.2 57.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -67.45 -49.15 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.47 -39.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.68 -50.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.0 mt -55.17 -50.18 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -52.39 -53.09 49.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 123' ' ' GLN . 39.5 mt -60.97 -52.2 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 122' ' ' LEU . 55.1 mt-30 -35.02 -38.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -63.21 -51.77 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 122' ' ' LEU . 34.6 m -46.29 -27.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.78 -39.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.7 t -63.85 -62.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.479 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.5 mp -52.73 -46.01 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -120.95 91.64 47.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.85 17.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -37.48 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.401 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.8 m-80 -52.36 107.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -82.17 -30.62 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 41.3 t -49.57 -27.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.7 m-85 -82.34 -41.98 19.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.36 -37.92 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -41.26 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 139' ' ' LEU . . . -64.25 -68.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 138' ' ' ALA . 4.3 tp -33.0 -66.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' LEU . 16.6 mmm180 -35.76 -42.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 138' ' ' ALA . 20.5 m-20 -47.39 -65.76 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.509 ' CG1' ' N ' ' A' ' 143' ' ' SER . 7.2 pt -76.42 -48.06 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.509 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 33.2 t -45.3 -47.04 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 103.19 176.34 26.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.8 21.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.315 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 60.1 p -40.93 106.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.6 p -153.76 119.61 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -131.08 118.09 20.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -90.37 92.07 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.01 -171.88 18.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -66.97 166.04 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.804 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -157.02 160.77 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.85 107.63 0.19 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.5 ttm -80.86 -54.6 5.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 p -152.74 171.32 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.203 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -93.81 145.92 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.9 m -113.48 163.83 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.48 173.58 27.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -36.3 11.13 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.38 68.32 1.38 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.2 m -129.82 80.17 71.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -178.57 2.43 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -61.32 151.69 75.61 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -108.6 154.44 41.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -179.48 2.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 160.17 20.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.6 t -173.45 141.71 0.93 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 107.07 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.266 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.24 162.12 40.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.96 49.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -89.42 -52.44 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 m -43.32 120.98 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HB1' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -49.51 -44.05 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.0 -25.44 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -91.08 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -45.63 -26.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -39.52 -39.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -67.75 -38.88 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.6 tp10 -47.25 -48.4 24.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -58.17 10.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -48.52 -62.46 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -40.01 -38.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 46' ' ' GLY . 74.9 mt -73.48 -38.1 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ASN . 20.9 t80 -68.53 -52.93 26.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -67.42 -3.47 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -109.54 -10.85 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.36 -31.53 8.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.49 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CZ ' ' HE3' ' A' ' 77' ' ' LYS . 29.7 m-85 -86.52 -48.64 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.78 -35.41 7.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.41 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -86.61 -55.29 2.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.478 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -37.37 -50.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.527 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 2.3 tm? -56.03 -51.99 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' N ' HD12 ' A' ' 48' ' ' LEU . . . -51.13 -51.91 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 -48.05 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -55.95 -43.02 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -53.88 -43.63 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -54.98 -51.52 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 28' ' ' VAL . . . -48.53 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.5 mt -50.29 -40.14 47.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.29 -42.13 72.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ALA . 59.2 mt -77.37 138.64 39.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.45 80.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' LEU . . . -93.46 177.61 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 157.11 89.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.08 36.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.76 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.22 -40.01 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -56.45 -53.27 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.45 -47.88 13.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.92 -34.46 63.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.9 mt -74.0 -33.83 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 25.9 m-70 -61.47 -37.43 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' N ' ' HB3' ' A' ' 91' ' ' ALA . 16.1 ptt180 -81.35 -23.93 37.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.08 -49.48 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' NE ' HD22 ' A' ' 48' ' ' LEU . 30.7 mmm-85 -49.4 -56.64 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.3 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.0 m -39.54 -51.37 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.403 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 9.5 m-70 -54.11 -53.02 58.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.2 mt -48.51 -45.5 37.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 23.1 mmmt -68.13 -36.53 79.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.64 39.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 38.77 49.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.403 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 57.6 m-20 -123.13 27.04 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 m-85 -41.88 -47.08 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 81' ' ' TYR . 30.8 t70 -36.93 -58.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -69.01 -45.09 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.91 -56.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE2' ' CG ' ' A' ' 105' ' ' ARG . 38.6 tp10 -41.67 -64.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -45.79 -58.3 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.0 mm-40 -49.91 -61.07 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -33.91 -58.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 t -49.55 -48.66 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -50.14 -43.74 52.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' HIS . . . -68.49 -16.94 64.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.7 mt -89.41 -65.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -41.81 -47.75 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 19.2 mmtt -36.9 -51.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.15 -64.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.44 -50.51 0.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.86 47.44 2.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -113.48 90.96 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 8.5 m -67.56 -39.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.463 ' N ' HG21 ' A' ' 99' ' ' VAL . 8.4 mmtp -41.25 -42.39 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.42 60.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.55 -54.0 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.81 -43.23 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.2 mmt-85 -61.48 -30.06 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.4 ' CG ' ' OE2' ' A' ' 85' ' ' GLU . 44.4 ttp180 -71.59 -49.13 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 p -51.25 -30.66 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -65.6 -31.41 72.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.12 -41.66 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.538 ' CD2' ' CZ ' ' A' ' 114' ' ' ARG . 47.8 mt -56.98 -41.3 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -58.14 -43.06 87.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.549 ' HE3' ' CE1' ' A' ' 81' ' ' TYR . 19.5 mmtt -75.8 -17.33 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -91.85 6.55 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.72 18.1 77.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.538 ' CZ ' ' CD2' ' A' ' 109' ' ' LEU . 65.8 mtp180 -107.34 53.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' ASP . 50.9 mt -55.29 -58.76 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 115' ' ' LEU . 31.6 m-20 -34.7 -44.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -73.17 -48.12 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.47 -40.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 142' ' ' ILE . 19.1 t -67.77 -44.13 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.1 mt -62.08 -40.95 97.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -28.58 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.401 ' CB ' HD11 ' A' ' 139' ' ' LEU . 84.7 mt -82.23 -36.37 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -55.45 -13.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -90.19 -56.03 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.5 p -50.87 -27.27 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.46 -28.26 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 t -79.46 -53.87 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 8.0 mt -58.2 -29.21 65.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -128.52 85.83 59.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -0.03 6.36 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.664 2.242 . . . . 0.0 112.38 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 133' ' ' LYS . 6.4 ptpp? -107.86 -40.09 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.415 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 4.4 m120 -54.45 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' LYS . 34.4 mtmm -66.09 -37.0 84.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.4 t -40.77 -35.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.415 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 14.3 m-30 -68.49 -57.98 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.95 -40.97 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.1 -43.67 86.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.31 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.401 HD11 ' CB ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -63.63 -32.88 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -74.51 -10.05 59.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -98.7 -24.45 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 119' ' ' VAL . 8.8 pt -100.42 -21.75 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 9.1 t -92.66 -28.83 16.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -61.28 146.78 47.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 118.81 5.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.2 t -68.07 -49.15 63.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.4 p -80.94 145.19 31.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -65.12 -63.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m 56.76 44.1 24.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.57 -179.55 52.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -126.12 -179.69 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 m -134.0 -66.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.5 134.44 5.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtt -120.08 -179.52 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.1 m -115.76 129.48 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.95 -35.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 p -38.76 142.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.4 -179.01 23.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.65 -128.55 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.461 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 74.5 m -151.04 139.09 12.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.578 0.704 . . . . 0.0 111.167 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 54.3 Cg_endo -69.69 172.98 11.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 16' ' ' PRO . 13.3 mp0 -158.99 158.11 28.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.64 0.733 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -177.48 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.628 2.218 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -140.36 147.96 51.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.7 6.41 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.33 51.81 11.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 t -129.87 141.3 41.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.22 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.297 . . . . 0.0 112.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.14 -148.08 17.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.02 98.96 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 111.09 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -128.34 -37.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.7 m -62.62 127.71 32.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 54' ' ' ALA . 2.1 p -57.94 -35.91 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.09 -39.73 63.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 32' ' ' ARG . 48.7 tt0 -86.74 -66.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.58 -32.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' GLN . 6.2 ttm180 -35.01 -56.4 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -46.14 -42.37 13.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 7.6 tp10 -44.71 -47.45 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.03 -50.03 14.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -48.45 -56.85 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.35 -44.41 16.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 46' ' ' GLY . 12.9 mt -63.77 -29.59 70.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -75.35 -54.68 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -58.88 -10.71 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 t -103.77 -23.71 13.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.49 -29.74 6.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.07 96.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -81.67 -51.88 7.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.1 -36.05 9.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -82.68 -56.41 2.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.9 -44.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.345 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 2.1 tm? -61.03 -47.91 84.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.16 -54.99 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.36 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -54.24 -41.46 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.7 m -53.7 -54.2 41.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ALA . 7.4 mt-30 -50.0 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' N ' HD23 ' A' ' 31' ' ' LEU . . . -37.55 -51.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.92 -42.76 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -44.53 23.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -71.35 155.83 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.2 83.29 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -101.25 160.16 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -43.35 154.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.28 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -87.68 -33.07 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.69 -45.63 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' LEU . 12.6 mt-30 -46.23 -62.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.451 ' HB3' ' CB ' ' A' ' 94' ' ' LYS . . . -37.1 -46.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.9 t -57.22 -40.7 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' GLN . 9.6 mt -71.79 -40.55 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -56.82 -58.31 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -51.08 -35.31 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' ARG . 57.9 m-20 -63.6 -57.94 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 66.9 mtp85 -37.1 -53.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.6 -53.45 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.77 -48.08 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -54.76 -52.91 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.44 ' CD2' ' OE2' ' A' ' 87' ' ' GLU . 56.5 m-70 -59.81 -53.86 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.7 mt -43.39 -47.11 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -69.26 -33.38 73.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.5 mt -87.04 42.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.1 mt-10 37.01 36.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -121.35 45.72 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.528 ' CE2' ' HG2' ' A' ' 111' ' ' LYS . 35.1 m-85 -53.52 -43.48 68.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' TYR . 4.8 m-20 -37.09 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' ALA . 13.5 mtpp -61.03 -51.0 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.25 -53.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -44.34 -60.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.9 m -52.0 -49.08 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.44 ' OE2' ' CD2' ' A' ' 75' ' ' HIS . 1.5 mp0 -50.61 -50.74 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.32 -50.84 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.6 p -50.56 -45.73 57.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -50.72 -43.19 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.76 -31.69 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.52 -51.33 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.79 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' CB ' ' HB3' ' A' ' 65' ' ' ALA . 24.2 mmtt -44.16 -61.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -108.31 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.74 -43.38 1.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.468 ' CA ' HD21 ' A' ' 128' ' ' LEU . . . -101.4 59.98 0.61 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.33 91.83 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 1.5 m -59.94 -39.95 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 27.3 mmtp -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.61 -46.09 20.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.36 -45.66 62.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -57.89 -33.86 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -74.88 -49.53 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -47.08 -57.61 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.6 p -44.7 -49.1 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -44.62 -49.79 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.96 -53.76 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.3 mt -43.58 -55.26 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -50.94 -44.41 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.528 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 7.6 mptt -63.68 -46.76 84.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.65 -28.94 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 126.38 -22.14 5.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.57 89.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -79.13 -65.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -40.28 -35.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -65.49 -49.14 70.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.02 -38.17 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 142' ' ' ILE . 44.8 t -65.11 -53.43 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.32 -41.25 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.6 -48.66 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.57 -50.04 74.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -39.31 -40.61 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 127' ' ' SER . 71.3 mtt180 -60.51 -48.41 81.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.451 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 62.1 m -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.37 -36.75 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.6 t -58.34 -58.07 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.0 mp -61.17 -34.71 75.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.55 89.43 52.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 3.06 3.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.3 OUTLIER -114.95 -44.44 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.567 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 2.0 t-20 -36.19 115.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -87.87 -27.43 22.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -55.86 -33.19 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 9.9 m-30 -75.1 -44.31 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -61.03 -43.75 98.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 5.5 pt-20 -66.91 -37.89 85.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.65 84.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 141' ' ' ASN . 3.7 tp -67.89 -63.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -39.53 -26.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 139' ' ' LEU . 62.6 m-20 -68.03 -62.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.483 ' CG1' ' N ' ' A' ' 143' ' ' SER . 6.5 pt -75.77 -46.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.483 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 26.1 t -49.54 -43.05 45.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.34 176.8 15.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 157.74 59.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.5 t -135.3 129.58 33.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.1 m 47.28 41.33 11.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.534 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -104.3 -50.21 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t 69.43 44.41 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.05 174.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -122.79 -67.45 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -169.81 -176.87 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.66 -156.8 19.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.5 mtt -151.64 127.16 10.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -112.02 129.06 56.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.44 126.54 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.8 m -133.19 170.37 15.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.75 81.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -167.01 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.16 172.47 45.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 t -168.4 144.47 3.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 111.133 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -175.12 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -134.66 145.99 57.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.604 0.716 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 166.93 26.0 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -95.72 135.84 22.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 176.24 7.04 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.95 106.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 t -171.63 140.65 1.21 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.586 0.708 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.46 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.57 81.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.22 116.91 32.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' SER . 15.7 m -59.71 -11.78 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' SER . 57.5 m -34.97 140.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -48.97 -43.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.33 -30.38 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.5 tt0 -90.6 -69.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -39.57 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -44.46 -44.46 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -57.41 -42.96 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -46.41 -43.1 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.84 -60.92 5.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -52.91 -57.86 8.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -40.38 -44.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 47' ' ' ALA . 34.1 mt -69.96 -31.74 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' ASN . 17.4 t80 -70.39 -50.95 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.4 ptpt -61.19 -8.93 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.96 -20.42 13.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.0 -36.13 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -51.66 93.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -80.06 -45.44 18.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.16 -31.21 11.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.34 -54.55 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.461 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -40.84 -41.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.98 -43.01 79.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.97 -46.02 71.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.97 72.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -54.76 -35.94 64.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -57.08 -56.6 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.79 -48.73 72.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB3' ' CG2' ' A' ' 28' ' ' VAL . . . -43.86 -51.86 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.1 -41.1 95.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.39 -41.0 47.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.6 mt -77.52 143.64 38.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 6.0 p-10 -67.69 88.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -106.29 171.52 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.61 158.68 4.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.99 33.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -88.35 -26.11 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -84.05 -31.64 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 15.6 mt-30 -60.74 -32.47 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . . . -76.8 -67.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ALA . 12.1 p -37.15 -29.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ALA . 12.9 mt -82.41 -47.27 12.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 65' ' ' ALA . 22.2 m-70 -53.1 -49.02 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 69' ' ' ARG . 6.5 ppt_? -65.82 -23.23 66.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -79.5 -49.64 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -41.31 -50.58 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.41 -47.97 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.58 -66.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.51 -48.57 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -59.47 -53.37 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.3 mt -44.92 -49.09 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -64.43 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.6 mt -94.61 43.84 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' LEU . 24.6 mt-10 36.8 43.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -119.53 42.55 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.9 m-85 -56.27 -39.12 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -56.76 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -72.29 -31.7 65.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -57.37 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -39.75 -53.27 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.5 m -54.13 -67.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -36.77 -40.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.91 -50.65 71.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -64.03 -34.16 77.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.52 -44.48 21.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 96' ' ' GLY . 33.7 mt -59.58 -45.77 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.49 -37.05 86.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -59.18 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -81.09 -56.82 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 87.2 24.15 38.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.12 25.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -111.1 132.56 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 11.1 m -91.12 -27.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -42.94 -48.06 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.27 -49.78 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.8 mt -44.41 -56.01 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -56.6 -39.72 74.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -63.42 -45.76 89.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -51.77 -54.43 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 p -47.75 -48.65 29.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -51.12 -32.22 21.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.43 -42.62 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.3 mt -53.92 -47.54 71.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.52 -57.69 11.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -53.5 -43.2 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.39 -23.59 66.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.81 -5.98 18.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -89.19 82.76 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.6 mt -75.98 -53.17 8.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.25 -45.17 23.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 120' ' ' LEU . 14.5 mm-40 -63.46 -53.2 55.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLN . . . -35.55 -46.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.2 t -62.77 -42.7 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 117' ' ' GLN . 24.0 mt -59.89 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.48 -34.33 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 124' ' ' ARG . 32.1 mt -73.14 -43.87 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -43.67 -23.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 122' ' ' LEU . 68.0 mtt-85 -84.2 -56.62 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 29.7 p -51.17 -21.3 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.2 t -84.15 -30.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.4 t -77.01 -40.5 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.469 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -68.48 -27.79 66.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -133.31 96.62 17.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -33.16 17.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -76.04 -42.62 47.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.502 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 2.1 m-80 -51.39 102.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 136' ' ' GLN . 32.9 mttp -79.12 -38.56 35.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 73.8 t -42.61 -27.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 21.9 m-85 -83.68 -35.72 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 133' ' ' LYS . 30.7 mt-30 -75.22 -33.27 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.486 ' O ' ' ND2' ' A' ' 141' ' ' ASN . 0.3 OUTLIER -71.56 -34.67 70.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.7 -26.58 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -70.28 -24.51 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 137' ' ' GLU . 44.2 m-20 -65.36 -38.66 90.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.3 pt -96.85 -30.32 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 20.4 t -58.44 -40.43 82.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -108.98 -179.06 21.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 88.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.635 2.224 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 35.6 t -53.67 -53.96 44.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 98.1 p 41.81 42.75 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.522 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -136.48 177.03 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 p -168.68 168.97 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.59 -158.29 10.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -165.22 177.21 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -144.81 176.03 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.96 -161.7 9.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 mtt -152.78 165.88 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.7 m -145.87 158.34 43.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.4 t -134.8 132.67 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.7 p -128.23 176.57 7.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.94 145.7 11.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -168.69 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.6 -145.74 4.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -155.39 121.34 2.62 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.581 0.705 . . . . 0.0 111.143 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 179.05 3.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -137.29 144.08 44.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 165.52 30.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -107.13 149.92 39.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.62 0.724 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.29 5.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.06 152.04 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -173.33 141.58 0.93 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.71 . . . . 0.0 111.119 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 95.06 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.314 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.83 -89.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.64 40.32 16.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -129.17 -41.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLN . 49.2 m -69.03 120.59 15.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 p -42.46 -37.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 17.4 tt0 -71.12 -38.35 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.9 tp60 -81.18 -68.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -40.74 -29.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' NH1' ' O ' ' A' ' 29' ' ' GLU . 3.1 ttp-105 -38.32 -50.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -50.89 -42.32 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.6 tp10 -46.76 -48.81 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.95 -60.8 8.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 39' ' ' PHE . 64.5 m-80 -53.76 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' ASN . 17.7 mt-10 -37.77 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.02 -38.43 20.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' ASN . 33.0 t80 -65.92 -53.18 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.23 -11.89 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 t -105.48 -21.44 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' TYR . . . 117.36 -38.31 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.88 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' GLY . 29.3 m-85 -82.42 -46.5 13.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.19 -36.47 15.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.26 -51.69 3.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.31 -50.31 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 3.1 tm? -57.39 -52.52 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.21 -54.19 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.51 -51.24 49.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -54.42 -41.39 69.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -56.67 -43.25 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -61.65 -58.51 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' N ' HD22 ' A' ' 31' ' ' LEU . . . -44.63 -51.42 9.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.6 mt -61.03 -29.13 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.1 33.79 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' ALA . 58.4 mt -145.32 144.51 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.96 82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LEU . . . -108.93 164.45 12.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.47 158.54 20.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -86.93 -21.1 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.22 -32.36 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 43.0 mt-30 -61.23 -29.18 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -79.59 -66.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 10.0 p -36.94 -32.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' ALA . 11.0 mt -71.68 -45.44 61.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ALA . 20.9 m-70 -56.04 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.7 ptt85 -51.38 -23.75 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 59.1 m-20 -81.11 -51.16 8.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -45.47 -52.11 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.82 -47.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.45 -62.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.9 m -46.5 -54.69 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -51.22 -58.46 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.403 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 14.3 mt -45.79 -42.63 12.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -69.35 -44.66 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.6 mt -79.91 44.22 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.4 tt0 36.47 36.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -117.0 45.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.473 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 23.6 m-85 -60.66 -34.98 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.63 -63.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -72.37 -41.64 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -41.86 -52.07 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' OE1' ' CD1' ' A' ' 112' ' ' LEU . 4.9 tt0 -48.05 -60.12 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.8 m -45.31 -52.62 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -43.73 -65.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' SER . . . -41.58 -61.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' ALA . 1.6 t -37.01 -51.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -56.36 -51.81 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.59 -54.7 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.88 -24.62 20.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.49 -33.04 19.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -52.51 -45.53 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -112.6 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.74 -39.61 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.42 42.64 1.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.45 92.6 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.47 HG13 ' CB ' ' A' ' 128' ' ' LEU . 3.7 m -76.73 -15.21 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -63.45 -47.4 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.63 -30.69 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 124' ' ' ARG . 37.2 mt -59.44 -51.23 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.63 -40.25 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -75.35 -31.21 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 85' ' ' GLU . 10.3 ttm-85 -58.47 -49.0 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -53.08 -46.37 68.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -48.16 -47.65 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.403 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -67.93 -53.6 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.0 mt -46.8 -46.17 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -50.95 -55.21 18.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.473 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 5.9 tptm -51.12 -27.15 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.445 ' CD1' ' OE1' ' A' ' 85' ' ' GLU . 31.4 mt -94.31 28.66 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 52.88 15.2 3.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -91.53 48.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -60.56 -34.34 74.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -32.01 71.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.41 ' CD ' ' N ' ' A' ' 117' ' ' GLN . 3.2 mp0 -83.67 -44.63 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -41.08 -42.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.62 -43.3 90.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.47 -36.36 83.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.02 -20.94 51.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 124' ' ' ARG . 21.9 mt -84.28 -52.72 6.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -38.64 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 122' ' ' LEU . 81.3 mtt180 -73.18 -56.3 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.9 p -53.78 -20.26 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.7 t -81.24 -38.52 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.9 t -61.61 -60.34 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.47 ' CB ' HG13 ' A' ' 99' ' ' VAL . 2.1 mp -48.87 -46.12 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HB3' ' CG ' ' A' ' 132' ' ' ASN . 5.6 mm-40 -111.57 94.51 23.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.86 32.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' LYS . 40.8 mmtm -90.55 -46.57 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 129' ' ' GLU . 4.8 m-20 -39.73 96.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -75.58 -21.42 57.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.6 -29.73 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -81.62 -55.25 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -50.35 -35.33 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -31.43 56.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.67 -27.14 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.67 -49.67 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -69.58 -17.05 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.17 -37.49 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 10.7 pt -96.44 -19.95 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.9 t -75.85 -32.56 59.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.63 154.67 16.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.69 112.95 3.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 99.8 p -122.94 157.12 33.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 43.5 t -88.84 103.91 16.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -76.61 159.28 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.7 p -155.4 173.97 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.83 -70.25 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 38.54 42.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -91.47 144.02 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.53 145.64 12.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 tpt -92.09 150.97 20.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -127.73 109.69 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.1 m -90.95 123.53 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -52.01 144.91 11.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.56 89.6 0.56 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 133.22 25.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.92 58.5 0.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.8 p -139.17 149.03 59.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 161.49 45.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -83.34 144.45 46.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.648 0.737 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 153.64 68.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -41.6 154.68 0.24 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 129.4 17.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.94 -177.58 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -161.66 141.45 7.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 170.64 16.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.3 -49.08 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.97 27.03 5.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -86.12 46.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLN . 60.0 m -96.45 121.2 38.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.58 -33.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.57 -41.79 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -88.67 -63.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -39.86 -35.65 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' LEU . 23.1 ttt85 -34.5 -48.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HZ1' ' NE2' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -51.89 -47.88 64.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.5 tp10 -40.67 -39.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.88 -61.34 5.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 39' ' ' PHE . 11.5 m-20 -55.97 -56.35 21.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -39.2 -44.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 47' ' ' ALA . 38.9 mt -70.64 -34.32 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 36' ' ' ASN . 23.9 t80 -67.43 -53.31 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -58.11 -11.59 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.73 -26.55 12.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.27 -38.15 2.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.86 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.28 -52.97 6.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -34.01 5.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -84.85 -55.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -37.1 -49.23 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 3.1 tm? -57.19 -57.72 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.15 -52.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.94 -51.06 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -54.14 -42.98 70.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.7 m -50.13 -55.14 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.97 -59.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.78 -50.28 18.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 68' ' ' HIS . 14.8 mt -62.67 -40.47 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.73 -45.62 68.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.499 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.0 163.53 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.53 41.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.08 167.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -53.75 157.21 4.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.67 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.16 32.23 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.65 2.234 . . . . 0.0 112.311 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -92.57 -32.69 14.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -80.98 -25.6 37.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.537 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 32.7 mt-30 -64.76 -31.5 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.8 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 67' ' ' LEU . 7.3 p -42.39 -44.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.426 ' N ' HG13 ' A' ' 66' ' ' VAL . 18.8 mt -63.29 -39.45 94.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 33.1 m-70 -61.02 -61.36 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -54.25 -30.64 51.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -69.96 -47.35 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 33.1 mtp180 -48.97 -49.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -34.74 -44.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.1 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.3 m -42.76 -48.63 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.463 ' CE1' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-70 -66.65 -51.9 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 mt -46.7 -41.67 15.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -73.99 -39.36 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 79' ' ' GLU . 11.3 mt -84.53 44.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tt0 35.72 46.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.412 ' OD2' ' ND1' ' A' ' 75' ' ' HIS . 35.6 t0 -127.91 37.73 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 111' ' ' LYS . 31.2 m-85 -44.81 -47.79 10.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -34.97 -63.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.463 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 14.0 mtpp -57.57 -44.7 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.3 -57.83 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -38.65 -50.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.4 m -60.64 -64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -43.29 -25.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.9 -46.5 12.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.0 t -65.25 -21.17 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.2 -40.63 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.18 -57.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -52.9 -34.85 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -56.65 -40.19 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -103.26 -64.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.78 -54.9 0.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -118.07 55.45 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.98 91.49 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.6 m -59.0 -41.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' VAL . 19.5 mttp -34.61 -48.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.01 75.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 99' ' ' VAL . 13.5 mt -50.13 -55.47 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -50.25 -44.5 53.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -64.47 -48.91 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -51.63 -52.11 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.0 p -47.19 -48.52 23.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.4 -39.86 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.78 -44.19 61.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.7 mt -53.97 -57.79 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.03 -38.76 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 11.0 mmtm -71.96 -49.63 35.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.3 -27.5 65.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.36 38.15 2.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -119.44 42.06 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.6 mt -42.46 -45.1 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -52.12 -41.66 62.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -77.63 -42.64 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.23 -36.26 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' A' ' 142' ' ' ILE . 44.2 t -72.29 -38.95 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.41 -41.47 84.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.53 -41.42 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 37.3 mt -71.92 -46.33 58.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -42.46 -39.79 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' SER . 33.7 mtt180 -65.44 -51.02 63.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 89.0 m -39.99 -40.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.66 -39.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 124' ' ' ARG . 23.3 t -62.5 -56.63 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 12.5 mt -63.22 -38.31 90.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.464 ' CG ' HG23 ' A' ' 99' ' ' VAL . 42.0 mm-40 -121.33 92.23 48.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.03 24.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 18.7 pttm -78.98 -45.07 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 5.5 m120 -47.6 104.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.44 ' HD2' ' NE2' ' A' ' 136' ' ' GLN . 8.1 tptm -83.16 -35.72 25.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.421 HG21 ' CD1' ' A' ' 135' ' ' PHE . 16.6 m -46.39 -23.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.4 m-85 -83.42 -40.78 18.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.44 ' NE2' ' HD2' ' A' ' 133' ' ' LYS . 43.6 mt-30 -68.8 -32.8 72.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -35.32 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.89 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 140' ' ' ARG . 23.9 tp -68.22 -66.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 139' ' ' LEU . 13.3 ptt180 -34.88 -36.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 139' ' ' LEU . 69.4 m-20 -57.0 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.493 ' CG1' ' N ' ' A' ' 143' ' ' SER . 8.2 pt -84.92 -49.23 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.493 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 13.2 t -60.48 -50.02 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 103.42 -158.47 17.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 114.74 3.81 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 14.6 t -117.27 123.74 47.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.1 p -131.6 -43.27 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 p -158.31 125.18 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -171.29 149.78 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.45 110.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -141.94 147.36 36.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -171.12 132.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.59 90.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.2 mmm -150.81 168.18 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -165.38 145.55 6.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.0 t -128.72 127.55 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.9 m -139.67 166.66 24.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.77 83.1 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 172.87 11.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.08 149.47 15.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 83.0 m -160.84 131.8 3.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 111.139 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.32 3.78 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -134.67 143.94 48.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.97 20.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -149.5 144.29 17.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 140.01 41.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' THR . . . -146.16 175.05 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' ALA . 9.9 t -36.82 141.89 0.37 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.71 23.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.633 2.222 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.6 43.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.55 111.13 19.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -82.18 45.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.0 m -88.84 129.83 35.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 7.3 p -38.3 -37.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 1.9 pp20? -70.78 -46.63 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' LEU . 5.6 tt0 -83.05 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -36.43 -34.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' LEU . 5.9 ttm180 -34.13 -53.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 33' ' ' LYS . 1.2 mppt? -48.88 -44.6 40.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.2 tt0 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.42 -60.46 4.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -52.94 -56.23 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 40' ' ' LYS . 32.5 mt-10 -41.06 -48.92 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 47' ' ' ALA . 37.5 mt -68.88 -39.12 79.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.41 -56.62 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 37' ' ' GLU . 12.7 pttm -64.69 -5.69 6.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.3 t -104.62 -11.74 16.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -17.37 56.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.8 87.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -79.39 -48.09 14.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.39 6.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' C ' HD11 ' A' ' 38' ' ' LEU . . . -94.03 -38.93 5.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.465 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -55.2 -38.51 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.76 -40.05 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.31 76.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.65 79.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' HB3' ' CD ' ' A' ' 71' ' ' ARG . 17.3 m-85 -54.78 -40.86 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -56.27 -50.94 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.8 mt-30 -53.33 -59.5 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' CA ' HG21 ' A' ' 28' ' ' VAL . . . -37.14 -54.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.547 HD12 ' CE1' ' A' ' 68' ' ' HIS . 12.5 mt -63.16 -37.44 87.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -55.5 -36.55 64.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.1 mt -78.97 146.92 33.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.09 79.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.94 160.71 14.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p -45.75 157.95 0.36 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.85 31.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -94.16 -27.61 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -79.7 -36.3 37.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.461 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 19.8 mt-30 -54.58 -31.18 56.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -75.71 -70.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' ALA . 11.6 p -36.9 -29.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ALA . 54.1 mt -77.13 -45.18 27.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.547 ' CE1' HD12 ' A' ' 55' ' ' LEU . 43.0 m-70 -53.2 -57.54 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -52.55 -27.89 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -78.63 -49.44 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.422 ' CD ' ' HB3' ' A' ' 51' ' ' TYR . 32.2 mmm-85 -49.03 -47.11 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -48.01 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.07 -67.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.32 -52.38 4.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.504 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 6.3 m-70 -53.67 -65.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.455 ' HG ' ' CB ' ' A' ' 84' ' ' ALA . 10.5 mt -40.63 -33.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.11 -39.47 25.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' HIS . 9.6 mt -89.31 46.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.6 mp0 37.18 54.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -132.48 33.54 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 111' ' ' LYS . 15.1 m-85 -47.2 -46.93 24.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' TYR . 5.2 m-20 -37.12 -62.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 20.4 mtpp -63.78 -49.23 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.455 ' CB ' ' HG ' ' A' ' 76' ' ' LEU . . . -42.14 -52.51 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' OE2' ' NH1' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -43.68 -47.78 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.0 m -72.33 -34.12 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 16.2 mt-10 -64.93 -27.4 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.28 -45.81 12.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -64.74 -17.08 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 18.0 ptpt -92.09 -31.77 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.94 -25.9 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.4 mt -75.69 -56.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -50.2 -35.72 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -66.79 -57.26 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -72.84 -66.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.53 26.89 23.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.66 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -119.28 89.38 3.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 17.6 m -56.55 -35.09 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.14 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -51.1 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 mt -40.0 -50.6 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.56 -44.64 93.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt-85 -60.97 -38.47 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.428 ' NH1' ' OE2' ' A' ' 85' ' ' GLU . 19.7 ttt85 -60.63 -56.83 16.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.4 p -44.77 -47.69 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.05 -42.31 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -73.58 -57.36 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' ALA . 86.9 mt -36.89 -50.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -55.09 -47.27 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 2.6 mptp? -67.36 -25.26 65.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.2 mt -85.52 6.27 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.25 -1.58 84.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -93.79 83.35 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 54.0 mt -83.27 -39.21 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.3 87.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.29 -51.86 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.437 ' O ' ' CD1' ' A' ' 122' ' ' LEU . . . -39.66 -42.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 43.4 t -65.61 -50.8 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.71 -61.55 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.78 -31.55 11.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 124' ' ' ARG . 20.3 mt -74.98 -49.37 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -38.86 -26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 122' ' ' LEU . 51.4 mtt-85 -77.74 -54.8 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.2 p -47.8 -22.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -81.16 -40.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 t -60.04 -56.61 19.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.47 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.1 mt -58.08 -39.83 79.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -117.86 85.93 23.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.49 33.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -83.28 -59.16 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.534 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.7 t-20 -34.45 120.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -25.52 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.453 ' HA ' ' CG ' ' A' ' 137' ' ' GLU . 77.0 t -55.12 -26.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 22.7 m-85 -78.49 -50.14 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.32 -40.78 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 134' ' ' VAL . 1.0 OUTLIER -65.97 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.62 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -50.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -69.5 -19.14 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -73.63 -19.99 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.3 pt -115.24 -26.15 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 t -71.63 -35.92 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 112.44 -172.07 14.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 146' ' ' SER . 53.7 Cg_endo -69.76 149.75 67.28 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 145' ' ' PRO . 14.2 t -38.41 124.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.7 p -65.02 -39.5 93.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -150.51 147.5 27.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -104.86 145.56 30.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.97 170.49 42.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 m -156.53 173.79 16.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -152.29 178.51 9.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.26 -158.13 7.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -171.66 159.1 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.2 p -148.01 149.01 31.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 11' ' ' SER . 99.2 t -147.38 148.84 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.43 ' N ' HG11 ' A' ' 10' ' ' VAL . 7.0 t -173.68 174.43 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.32 65.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.67 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.86 136.14 12.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 47.3 m -151.91 130.79 6.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.583 0.706 . . . . 0.0 111.113 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.44 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.736 2.291 . . . . 0.0 112.34 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -133.79 152.95 79.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.617 0.723 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -170.27 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.53 122.67 56.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.387 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.47 43.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -167.83 130.26 1.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 108.86 2.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.295 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.39 39.59 0.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.05 100.55 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -96.29 44.15 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t -74.15 137.0 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.408 HG21 ' C ' ' A' ' 54' ' ' ALA . 3.6 p -38.95 -39.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.3 -51.58 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -66.43 -70.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 32' ' ' ARG . 1.0 OUTLIER -39.16 -35.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' LEU . 6.5 ttp85 -35.17 -50.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -47.77 -49.01 29.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -43.8 -44.58 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.05 -63.46 5.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' PHE . 55.6 m-80 -57.32 -56.84 16.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -44.76 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -74.46 -31.76 62.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.9 t80 -71.92 -49.64 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 1.1 ptpm? -62.61 -7.6 5.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.9 t -107.25 -17.49 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.77 -36.31 4.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.26 92.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -81.94 -53.21 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.9 -27.26 4.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.99 -55.57 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.32 -39.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.11 -48.96 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.91 -47.82 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.04 -50.39 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -54.82 -36.34 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.8 m -57.18 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -49.74 -56.43 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' C ' HG21 ' A' ' 28' ' ' VAL . . . -45.1 -55.66 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.0 mt -56.93 -37.14 71.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.92 -46.1 84.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.17 152.68 45.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.67 75.74 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.59 164.81 15.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.79 159.12 1.41 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -11.92 31.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -94.23 -25.53 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.15 -28.39 25.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.47 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 22.2 mt-30 -63.74 -31.35 72.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -76.14 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 8.3 p -39.54 -35.71 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.5 mt -74.0 -37.82 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ALA . 32.4 m-70 -60.5 -57.71 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 2.4 ptt-85 -56.98 -23.76 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -75.13 -49.1 20.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -43.44 -55.6 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.37 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.68 -57.42 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.0 m -54.12 -49.61 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.403 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 62.1 m-70 -54.27 -52.67 60.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 81' ' ' TYR . 78.0 mt -46.96 -46.56 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -68.76 -31.23 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 13.1 mt -95.84 40.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 10.9 tt0 36.4 42.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.403 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 83.8 m-20 -114.52 31.53 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.621 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 51.1 m-85 -42.1 -52.21 4.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' TYR . 3.4 m-20 -34.36 -57.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.8 -49.92 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.21 -50.91 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.37 -55.93 13.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -56.75 -45.16 82.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.03 -57.13 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 91' ' ' ALA . . . -45.14 -57.71 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.7 t -43.44 -47.79 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -59.66 -32.96 70.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 88' ' ' ALA . . . -73.52 -18.31 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.3 mt -87.38 -54.39 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.7 -25.11 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -55.69 -60.02 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.42 -52.95 3.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.35 -48.43 0.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.47 55.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.31 102.76 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 102' ' ' LEU . 12.1 m -70.96 -37.81 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -33.91 -41.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.54 -42.54 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 99' ' ' VAL . 10.3 mt -54.04 -46.55 71.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.36 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -67.67 -31.46 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -69.26 -53.91 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 p -47.8 -22.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -71.9 -49.5 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.39 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.95 -56.65 19.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -53.97 -39.37 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.621 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -56.01 -43.11 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.6 mt -79.29 8.02 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.39 -23.55 31.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -64.4 78.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.0 mt -81.7 -41.45 21.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.97 -43.8 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -61.72 -53.7 52.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -41.4 -44.41 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 142' ' ' ILE . 25.4 t -58.46 -55.04 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.0 mt -51.62 -60.08 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.55 -43.88 35.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.59 -48.51 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -40.3 -35.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -66.67 -50.24 63.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 56.2 m -45.93 -49.41 15.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.89 -24.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -81.01 -44.57 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -77.55 -25.77 50.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -129.62 87.84 51.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.14 34.24 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -93.95 -46.44 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.516 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 8.6 m120 -50.15 98.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -73.63 -33.25 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.409 HG22 ' CD1' ' A' ' 135' ' ' PHE . 34.5 m -47.75 -26.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.516 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 17.4 m-85 -79.01 -48.06 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.86 -32.02 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.26 -37.67 32.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.2 -24.36 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -53.96 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -69.43 -22.88 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -61.67 -38.54 88.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.451 ' CD1' HG23 ' A' ' 119' ' ' VAL . 13.7 pt -100.06 -27.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.9 t -66.64 -35.58 80.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -47.21 149.17 2.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -19.89 35.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.3 m -50.13 149.01 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 99.5 p -86.56 152.61 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.487 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -158.07 176.02 13.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -148.58 171.62 15.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.8 -157.62 8.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -131.76 170.91 14.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -137.18 176.77 8.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.26 170.99 30.94 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -173.62 128.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.2 m -158.18 125.18 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.25 145.16 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -166.7 157.2 12.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.66 147.67 14.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -175.96 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 149.62 125.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.8 t -120.39 75.93 24.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.596 0.713 . . . . 0.0 111.15 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 173.33 11.18 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -88.11 152.01 49.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 92.97 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -126.0 161.08 53.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 112.75 3.15 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.391 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -150.61 -175.34 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 10.0 t -122.84 49.53 2.39 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.597 0.713 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 22' ' ' THR . 53.5 Cg_endo -69.76 157.45 60.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.89 -173.55 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.49 25.63 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -99.8 -41.09 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 m -53.78 124.09 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -48.97 -50.38 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -45.6 -45.76 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -73.01 -72.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -37.23 -37.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -35.96 -43.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -58.15 -46.05 86.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.8 tt0 -43.51 -44.93 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.94 -61.78 6.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' PHE . 91.3 m-20 -55.35 -54.98 36.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.33 -39.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.87 -30.83 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -65.82 -50.32 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -59.4 -10.42 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.6 t -103.21 -25.96 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.46 -34.1 4.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -49.65 94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -79.03 -44.77 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.62 -37.83 34.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -83.66 -58.86 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.23 -49.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 3.2 tm? -57.74 -54.58 45.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.73 -55.57 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.99 -50.58 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 20.5 m-85 -55.2 -42.79 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -48.46 -56.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -53.81 -53.98 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' CB ' HD23 ' A' ' 67' ' ' LEU . . . -42.16 -58.06 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.495 HD13 ' CE1' ' A' ' 68' ' ' HIS . 79.9 mt -57.23 -42.56 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.36 -48.07 49.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.1 mt -65.85 151.98 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.31 78.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.94 21.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.08 159.99 12.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.11 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.48 14.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -94.95 -38.95 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -34.06 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -48.88 -54.31 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.66 -57.43 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.3 t -48.49 -44.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 54' ' ' ALA . 19.5 mt -65.89 -50.98 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.495 ' CE1' HD13 ' A' ' 55' ' ' LEU . 40.0 m-70 -55.58 -60.23 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -46.21 -33.36 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 15.4 m-80 -76.39 -43.86 38.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -51.29 -60.19 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -37.86 -40.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.08 -58.78 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.8 m -48.99 -46.57 44.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -58.98 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 81' ' ' TYR . 69.6 mt -40.96 -43.24 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -67.67 -44.6 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.61 40.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 42.75 43.53 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -119.64 39.68 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.551 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 45.9 m-85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -35.93 -60.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mttp -63.97 -51.85 62.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -33.97 -62.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' CD ' HD22 ' A' ' 109' ' ' LEU . 27.9 tt0 -38.66 -61.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.2 m -58.94 -51.39 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.63 -56.71 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.12 -51.9 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -41.69 -37.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ILE . 41.6 mttt -68.06 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -43.75 -22.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' LYS . 71.0 mt -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 94' ' ' LYS . 4.2 pt-20 -42.0 -48.31 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 93' ' ' GLU . 0.5 OUTLIER -44.42 -72.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.08 -68.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.42 -36.79 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.02 52.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -109.32 94.43 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 22.6 m -61.4 -32.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.0 -55.58 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.64 91.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mt -48.44 -60.1 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -43.38 -42.78 4.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -69.98 -43.95 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -47.96 -59.89 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.8 p -45.15 -49.82 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -45.13 -41.76 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.07 45.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.424 ' CD1' ' OD2' ' A' ' 121' ' ' ASP . 19.2 mt -51.15 -55.45 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -45.6 -43.89 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.551 ' HG3' ' CD2' ' A' ' 81' ' ' TYR . 15.4 mmtm -64.51 -34.58 78.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.9 mt -87.58 27.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.74 33.12 59.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -114.04 47.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.67 -39.8 81.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -53.1 -39.78 63.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -81.42 -41.53 21.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.64 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 142' ' ' ILE . 95.4 t -55.83 -53.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.4 mt -52.29 -47.81 65.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.424 ' OD2' ' CD1' ' A' ' 109' ' ' LEU . 6.5 m-20 -59.02 -46.06 89.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 123' ' ' GLN . 29.7 mt -62.75 -46.89 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 122' ' ' LEU . 29.6 mt-30 -36.28 -48.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -56.11 -47.98 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.413 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 69.6 m -42.39 -51.4 4.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.15 -33.85 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.5 t -65.63 -60.16 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 7.1 mt -65.9 -33.05 74.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -123.45 93.75 47.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 132' ' ' ASN . 6.7 mtpm? -59.43 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.595 ' OD1' ' CZ ' ' A' ' 135' ' ' PHE . 1.6 t-20 -33.4 116.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 135' ' ' PHE . 2.4 mppt? -92.08 -47.12 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.506 ' CG2' ' OD1' ' A' ' 132' ' ' ASN . 30.6 m -35.26 -31.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.595 ' CZ ' ' OD1' ' A' ' 132' ' ' ASN . 15.7 m-30 -72.47 -51.37 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 133' ' ' LYS . 35.5 mt-30 -52.5 -47.63 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -65.98 -31.26 72.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.61 60.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 139' ' ' LEU . 0.5 OUTLIER -48.91 -57.69 6.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -65.21 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -55.76 -37.34 68.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.451 HD13 ' CG2' ' A' ' 119' ' ' VAL . 30.2 pt -96.74 -30.61 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 142' ' ' ILE . 2.8 t -67.44 -36.04 80.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -81.35 146.52 26.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.02 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 m -45.35 -45.63 12.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -64.76 -48.8 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -155.78 138.09 14.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -99.55 162.19 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.93 -120.43 3.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -160.17 158.03 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -81.48 176.27 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.01 -179.94 16.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.2 mtt -133.03 159.02 41.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.9 p -61.71 176.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -166.48 137.98 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -57.47 174.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.39 148.88 19.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -35.57 12.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.38 158.66 26.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.6 p -110.03 81.32 2.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.543 0.687 . . . . 0.0 111.146 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 177.57 5.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.308 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE1' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -102.87 144.81 29.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 0.0 110.843 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.74 122.1 8.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -66.44 144.0 98.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.604 0.716 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 99.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.59 75.54 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 t -174.05 140.51 0.78 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -39.74 6.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.13 -29.5 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.46 34.14 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 m -116.9 -30.06 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m -76.35 125.06 28.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 1.5 p -41.68 -38.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.46 -41.48 97.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.3 tp60 -85.81 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLN . 11.8 ttp180 -41.36 -59.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -46.04 -31.58 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 tp10 -49.68 -56.37 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.47 -28.15 52.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.01 -42.99 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 36.9 mt-10 -69.16 -37.09 78.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -87.33 -49.87 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 pttp -63.34 -8.84 9.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 m -106.4 -22.45 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.76 -33.65 4.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.1 94.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.507 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 18.8 m-85 -84.46 -41.09 16.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.26 -32.58 21.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -90.78 -58.69 1.48 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.24 -43.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD2' ' HD2' ' A' ' 71' ' ' ARG . 2.4 tm? -58.27 -47.92 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.41 -47.11 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.99 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -56.35 -44.86 80.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -50.87 -49.06 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.2 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.28 -57.15 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.72 -45.01 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.2 -37.91 11.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.9 mt -76.05 159.84 30.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -77.9 48.77 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.79 148.83 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.63 159.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 111.164 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -18.24 37.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -83.28 -27.73 29.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.33 -36.9 24.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -53.14 -49.44 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.437 ' CB ' ' OD1' ' A' ' 95' ' ' ASP . . . -49.09 -40.45 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -63.88 -51.41 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.05 -24.56 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . 22.2 m-70 -72.67 -48.96 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.67 -26.72 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -80.78 -54.9 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HD2' ' CD2' ' A' ' 48' ' ' LEU . 1.4 mmm180 -41.02 -46.86 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.75 -40.21 66.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -60.89 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -38.15 -46.12 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' LEU . 8.5 m-70 -62.78 -61.05 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.6 mt -41.05 -43.04 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 13.4 mptt -71.88 -34.37 69.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' HIS . 18.3 mt -92.64 37.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 45.27 42.61 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -119.54 39.33 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -51.8 -41.41 61.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.69 -63.25 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' ALA . 34.3 mttp -61.46 -50.9 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.81 -55.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -40.26 -49.15 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -64.23 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.6 mm-40 -41.59 -56.08 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -36.89 -59.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 p -49.02 -56.45 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -45.43 -32.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 68' ' ' HIS . . . -73.91 -34.83 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.85 -57.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 12.9 pt-20 -46.8 -47.94 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 22.7 mmtm -40.91 -62.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 5.6 m-20 -90.5 -69.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.93 -49.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.507 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.81 54.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.81 95.61 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 20.9 m -67.33 -15.16 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -51.92 -44.96 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.23 -31.47 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.0 -44.98 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.08 -49.07 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -64.25 -24.96 67.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -65.82 -60.97 2.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.3 p -45.35 -45.86 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.81 -38.62 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.47 -53.55 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 27.0 mt -46.28 -45.65 17.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -58.3 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -73.88 -22.67 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -83.71 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.42 -1.2 60.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -97.01 95.44 7.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.3 mt -88.36 -38.56 15.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.73 -50.24 72.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -50.12 75.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -41.99 -42.31 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.18 -60.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.9 mt -50.87 -45.21 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.0 mt -64.87 -35.14 80.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -45.54 -56.95 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -56.71 -36.71 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.12 -34.94 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 80.9 t -90.32 -43.28 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 t -51.51 -29.94 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.483 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -91.14 -29.33 17.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -122.99 87.14 50.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -1.73 8.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -109.13 -39.53 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.643 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 1.8 m-20 -59.06 99.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 134' ' ' VAL . 15.5 pttt -78.04 -28.42 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.465 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 90.4 t -46.66 -29.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.643 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 7.6 m-85 -78.4 -45.28 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -58.11 -42.92 86.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.27 -34.32 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.05 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.99 -42.17 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -62.49 -13.1 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -81.55 -54.66 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.485 ' CG1' ' N ' ' A' ' 143' ' ' SER . 7.5 pt -81.7 -45.68 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.485 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 22.9 t -56.19 -35.43 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -84.36 169.7 45.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.97 3.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.314 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 60.5 p -55.56 161.06 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 31.8 t -83.09 -44.39 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t 49.65 41.92 22.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.899 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -151.88 176.12 11.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.63 163.04 14.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -124.45 177.49 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -143.8 122.09 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.25 171.25 46.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.9 ttt -168.25 151.31 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.817 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -132.0 158.76 40.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.47 134.22 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t -119.03 136.47 54.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -78.22 141.71 25.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -32.55 18.24 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.68 135.82 1.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 t -157.26 143.65 13.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 111.156 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.78 135.97 31.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 16' ' ' PRO . 7.3 mp0 -158.1 155.69 26.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 150.41 68.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.311 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -95.12 127.65 41.84 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -167.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.63 142.15 55.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.0 m -47.56 105.27 0.47 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.572 0.701 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -38.39 7.81 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.0 -136.11 1.97 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.86 46.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.8 p -117.6 104.34 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' GLU . 19.8 m -150.76 121.67 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.06 -25.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' SER . 15.2 tt0 -81.49 -45.22 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.1 tp60 -84.94 -65.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.4 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -40.37 -55.17 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -47.09 -44.68 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -41.84 -41.82 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -65.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -49.23 -47.99 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -49.62 -38.65 32.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.55 -19.19 53.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -79.48 -48.36 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.61 -9.55 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 t -106.03 -18.93 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 112.74 -35.62 4.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.49 96.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 19.6 m-85 -80.35 -48.64 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.93 -33.39 20.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.22 -59.63 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.79 -36.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.53 -47.05 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.89 -40.8 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.31 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 22.8 m-85 -54.08 -30.7 49.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -61.16 -57.58 11.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -52.93 -55.13 25.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.61 -57.11 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.51 -41.69 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.8 14.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 71.2 mt -78.23 147.21 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.89 86.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -103.54 163.16 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 160.54 68.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.625 0.726 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.43 30.79 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.36 -27.6 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.87 -45.93 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 45.6 mt-30 -45.12 -60.87 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' A' ' 94' ' ' LYS . . . -39.01 -45.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.49 -37.04 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.08 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLN . 4.9 mt -75.1 -50.21 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -49.33 -49.28 44.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' O ' ' CZ ' ' A' ' 104' ' ' ARG . 7.7 ptm180 -66.08 -27.16 67.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 8.0 m-20 -74.23 -32.68 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -70.5 -40.78 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.02 -29.75 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.13 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.7 m -44.3 -55.58 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' LEU . 59.0 m-70 -44.53 -61.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -41.49 -35.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -81.02 -32.19 34.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' HIS . 10.6 mt -95.32 42.65 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 42.04 46.46 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.441 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 27.8 m-20 -124.02 37.81 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 111' ' ' LYS . 9.7 m-85 -53.71 -39.92 65.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.18 -59.07 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -64.79 -43.78 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.61 -44.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.15 -57.43 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.3 m -53.79 -57.61 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -42.89 -58.3 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 m -56.07 -44.95 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.28 -21.34 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.86 -8.05 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.0 mt -91.92 -43.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -52.84 -52.5 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.424 ' CB ' ' HB1' ' A' ' 65' ' ' ALA . 1.1 mptp? -37.21 -71.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 95' ' ' ASP . 27.4 t0 -77.84 -61.65 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.05 -49.0 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.49 49.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -99.43 119.58 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.4 m -85.77 -26.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -51.7 -42.68 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.75 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.2 -57.96 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -46.62 -35.72 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.404 ' CZ ' ' O ' ' A' ' 69' ' ' ARG . 11.2 mtt85 -71.11 -45.13 64.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -50.33 -52.86 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' GLN . 79.5 p -45.2 -50.17 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' SER . 25.0 mt-30 -38.06 -52.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -66.09 -55.99 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.468 HD22 ' CD ' ' A' ' 114' ' ' ARG . 80.2 mt -39.91 -52.4 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.458 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 14.9 mm-40 -61.33 -31.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.575 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -73.15 -38.7 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.28 3.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 115' ' ' LEU . . . 92.67 -46.9 2.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 114' ' ' ARG . 2.3 ptp180 -44.97 90.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' GLY . 6.9 mt -91.77 -40.33 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.6 -29.11 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.57 ' NE2' ' N ' ' A' ' 117' ' ' GLN . 2.2 mp0 -81.87 -48.41 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.33 -43.88 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.78 -44.19 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.59 -27.21 68.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.61 -47.49 12.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' CYS . 32.5 mt -63.69 -52.23 61.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LEU . 74.3 mt-30 -37.68 -28.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 122' ' ' LEU . 14.8 mtt-85 -75.64 -44.93 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 122' ' ' LEU . 77.1 m -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.81 -39.99 87.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.5 t -66.32 -45.65 79.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -72.82 -30.92 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.69 87.44 55.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -9.81 27.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -100.58 -52.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -44.66 96.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -71.6 -20.01 62.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.482 HG23 ' CD1' ' A' ' 135' ' ' PHE . 12.8 m -59.21 -21.89 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.482 ' CD1' HG23 ' A' ' 134' ' ' VAL . 12.2 m-85 -88.78 -46.23 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.16 -26.41 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -85.71 -34.08 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.42 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -58.59 3.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -64.65 -10.13 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -82.02 -17.31 47.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 pt -120.92 -28.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 12.6 t -71.7 -32.71 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -65.77 149.02 51.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 120.7 7.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.3 t -47.08 -46.68 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 44.2 t -68.36 112.59 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.462 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 m -128.38 176.39 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -154.31 175.41 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.52 -173.05 36.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -162.08 177.52 9.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -163.61 174.69 11.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.14 -153.98 8.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.3 mmt -143.63 173.35 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.4 p -100.65 -45.75 5.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.9 t 43.37 43.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -122.36 126.71 48.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.71 146.21 16.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 174.69 9.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.61 61.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.3 p -144.5 153.97 55.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.705 . . . . 0.0 111.139 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 104.54 1.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.719 2.28 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -135.85 157.9 75.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -173.28 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -107.78 81.42 1.17 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -168.33 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.254 . . . . 0.0 112.383 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.77 178.14 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.3 m -146.11 124.01 6.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.577 0.703 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 86.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.38 -160.76 10.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -98.89 42.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 m -125.61 101.61 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 m -149.28 126.4 11.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 54' ' ' ALA . 3.4 p -41.39 -35.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.82 -49.28 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' LEU . 1.4 tm0? -81.78 -68.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -34.33 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.1 ttp85 -36.8 -51.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -52.75 -46.99 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -40.58 -39.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.99 -59.94 5.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 39' ' ' PHE . 7.6 m-80 -55.52 -57.01 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -39.47 -37.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 mt -81.28 -32.72 33.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' ASN . 32.6 t80 -68.62 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -6.07 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.5 m -104.89 -21.83 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.77 -34.46 4.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.52 98.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.499 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 21.1 m-85 -86.66 -46.82 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 -35.23 7.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.24 -54.99 2.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.94 -54.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 49' ' ' ALA . 3.4 tm? -49.85 -57.57 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' N ' HD11 ' A' ' 48' ' ' LEU . . . -43.51 -52.12 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.79 -46.31 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.15 -46.14 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -45.98 -56.52 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.67 -62.78 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 28' ' ' VAL . . . -38.22 -42.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.91 -43.72 57.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.3 -38.36 12.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.05 157.11 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -78.96 45.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . . . -57.53 169.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -59.72 157.22 29.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -3.96 13.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -94.9 -27.83 15.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.09 -46.31 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.45 -24.56 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.76 -63.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 67' ' ' LEU . 10.7 p -49.29 -32.59 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.406 ' N ' HG13 ' A' ' 66' ' ' VAL . 12.0 mt -73.99 -47.52 36.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -51.22 -52.74 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.2 ptp180 -57.82 -43.44 85.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 6.7 m-20 -58.31 -52.84 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ALA . 35.1 mtm180 -41.5 -51.05 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -37.17 -49.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.27 -53.96 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.6 m -44.01 -48.92 8.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.428 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 20.3 m-70 -65.86 -56.5 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.513 HD23 ' CD2' ' A' ' 81' ' ' TYR . 91.7 mt -40.65 -43.9 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.499 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 2.4 mptm? -68.57 -46.36 69.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.46 41.99 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 38.82 47.83 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.428 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 17.0 m-20 -120.2 37.26 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 59.9 m-85 -47.56 -49.7 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -39.59 -63.49 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -66.36 -44.21 83.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.54 -54.23 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.11 -51.56 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.4 m -52.54 -56.39 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -45.73 -48.76 15.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.97 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.7 p -51.47 -46.46 63.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -50.15 -39.62 44.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.93 59.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.42 -40.17 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 5.3 pt-20 -69.15 -35.15 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 39.6 mmtt -53.6 -60.81 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -96.99 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.67 -48.43 0.95 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.05 56.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.02 85.52 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.821 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 28.1 m -63.54 -29.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -47.31 -55.71 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.402 ' HB1' ' CB ' ' A' ' 69' ' ' ARG . . . -63.41 -38.8 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.0 mt -52.98 -46.76 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.87 -43.27 90.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' ARG . 13.5 mtp85 -66.45 -51.27 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' ARG . 43.4 ttt180 -38.07 -59.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -41.28 -44.88 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -43.46 -41.3 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.04 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.5 mt -42.92 -61.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -51.09 -47.62 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 11.0 tptt -53.85 -38.21 64.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.68 28.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.28 30.58 55.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -106.38 48.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -56.11 -33.12 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -64.7 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -80.41 -45.36 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.46 -46.83 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.433 ' CG2' HD12 ' A' ' 142' ' ' ILE . 45.3 t -62.52 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.4 mt -46.23 -44.56 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.32 -54.92 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' A' ' 142' ' ' ILE . 33.0 mt -55.7 -44.23 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 122' ' ' LEU . 32.2 mt-30 -37.57 -31.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -78.88 -57.59 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.4 p -49.17 -28.24 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.428 HG22 ' CB ' ' A' ' 135' ' ' PHE . 57.5 t -83.57 -28.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.9 t -77.59 -56.77 4.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.478 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 5.7 mt -57.27 -29.78 64.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.421 ' CG ' HG21 ' A' ' 99' ' ' VAL . 10.5 mm-40 -118.73 100.0 51.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -37.32 9.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 133' ' ' LYS . 47.4 mtmt -76.65 -52.14 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.567 ' HB3' ' CE2' ' A' ' 135' ' ' PHE . 3.3 m120 -38.97 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 131' ' ' LYS . 26.7 tttm -77.35 -42.21 37.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 133' ' ' LYS . 84.8 t -35.84 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 132' ' ' ASN . 18.0 m-85 -72.89 -48.86 33.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 80.6 mt-30 -56.36 -47.31 79.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -63.67 -34.08 77.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.62 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -53.72 52.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -65.9 -34.53 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -58.04 -38.31 76.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.448 HD11 ' CD1' ' A' ' 122' ' ' LEU . 27.6 pt -92.58 -29.26 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 142' ' ' ILE . 4.8 t -69.29 -39.7 78.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' SER . . . -38.11 146.49 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.459 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.75 19.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.726 2.284 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 54.7 p -108.12 148.62 29.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 91.4 p -93.44 107.73 19.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -133.13 177.21 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -174.68 137.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.14 -126.02 2.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -129.49 161.65 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -160.74 158.04 27.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.819 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.06 75.37 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -140.74 149.35 42.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.8 p -156.58 127.15 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.8 t -120.6 128.07 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.2 p -170.73 147.41 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.73 143.44 8.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 127.85 15.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.85 169.29 14.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -123.73 119.85 26.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 0.0 111.131 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -87.79 148.07 42.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 88.01 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -88.31 134.29 34.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 148.13 64.61 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.18 158.89 25.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.062 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.2 t -37.75 141.69 0.47 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 132.62 23.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.73 -50.47 0.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.43 109.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.9 m 61.52 37.79 16.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 30' ' ' GLN . 21.8 m -105.66 120.9 42.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 p -38.23 -39.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -68.18 -41.45 81.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.1 tp60 -86.42 -66.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.39 -27.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.3 ttp180 -38.36 -49.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -54.68 -48.13 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -38.93 -36.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.08 -60.44 3.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.2 m-20 -56.47 -52.65 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.7 -34.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -81.95 -28.83 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.4 t80 -66.55 -46.16 77.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.2 -7.27 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.5 m -102.08 -23.46 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.05 10.08 30.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.84 92.69 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 7.9 m-85 -77.79 -35.81 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.53 -35.93 87.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -88.64 -57.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.34 -41.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 3.0 tm? -65.96 -43.08 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -52.37 -45.67 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.97 71.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -52.98 -40.3 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.5 m -53.23 -59.21 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -48.86 -57.93 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.17 -55.25 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.38 -30.87 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.7 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 59' ' ' ALA . 54.1 mt -139.98 146.43 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.71 76.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -109.55 157.58 18.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 159.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 111.168 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.37 22.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -73.8 -24.39 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.38 -41.59 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.7 mt-30 -55.18 -43.24 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 90.5 t -56.78 -27.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.07 -43.88 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -60.43 -26.78 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 86.1 m-20 -76.05 -52.09 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 68.0 mtp180 -46.8 -44.84 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.99 -58.67 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.03 -59.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 7.4 m -44.49 -53.78 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 78' ' ' LEU . 5.8 m-70 -55.32 -57.88 10.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.0 mt -38.35 -50.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 23.7 mmtp -61.67 -34.69 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' HIS . 11.1 mt -94.74 40.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 39.23 32.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.84 40.25 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.579 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 5.4 m-85 -50.23 -49.55 52.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' TYR . 6.3 m-20 -33.98 -57.5 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . 19.5 mtpt -72.41 -54.05 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -36.73 -65.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -42.88 -38.5 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' LYS . 71.1 m -77.73 -33.11 53.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.87 -31.59 70.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.17 -46.98 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.453 ' HB2' ' CD ' ' A' ' 105' ' ' ARG . 38.4 t -63.45 -16.5 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -92.75 -26.87 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.26 -9.93 58.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.7 mt -85.53 -61.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.64 -33.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -55.94 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.58 -68.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.72 -44.13 1.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.19 40.38 2.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 1.4 p30 -115.19 69.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 21.7 m -52.74 -22.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -54.44 -42.23 70.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.7 -27.87 50.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.433 ' CZ ' HG13 ' A' ' 134' ' ' VAL . 12.9 t80 -62.76 -20.98 65.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -82.6 -48.1 11.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.453 ' CD ' ' HB2' ' A' ' 89' ' ' SER . 4.1 ttm180 -53.66 -44.33 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.9 p -53.82 -46.18 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -45.14 -38.41 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.84 -45.73 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.5 mt -41.16 -57.26 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.413 ' CD ' HD21 ' A' ' 115' ' ' LEU . 16.5 mm-40 -56.12 -43.26 77.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.579 ' HG3' ' CD2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -53.13 -45.21 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.7 mt -82.59 19.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.53 7.72 74.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 70.81 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.413 HD21 ' CD ' ' A' ' 110' ' ' GLU . 20.9 mt -82.42 -26.93 32.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.0 -40.66 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -78.61 -46.39 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.18 -38.85 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.89 -54.59 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.1 mt -56.86 -59.52 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.15 -34.41 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 38.6 mt -79.19 -37.97 36.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -56.78 -16.27 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -89.11 -25.8 21.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 73.5 m -67.93 -34.71 77.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.66 -34.15 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.8 t -62.27 -65.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.487 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.0 mp -52.51 -45.32 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -118.48 84.81 24.7 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -5.08 15.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -101.93 -52.0 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -41.09 123.76 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' GLN . 8.9 mptt -85.77 -42.73 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' LYS . 11.6 t -34.82 -34.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 133' ' ' LYS . 13.7 m-85 -79.4 -45.12 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 133' ' ' LYS . 76.1 mt-30 -57.84 -24.15 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.56 -54.45 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -44.27 -32.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.96 -43.86 12.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -65.36 -21.05 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -80.38 -54.34 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 143' ' ' SER . 25.0 pt -71.14 -30.8 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.447 ' N ' HG13 ' A' ' 142' ' ' ILE . 17.0 t -81.0 -30.14 35.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -89.13 164.95 32.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 94.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.234 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 10.2 t -80.99 97.93 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 69.0 m 41.03 41.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -159.08 176.58 12.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -139.9 175.87 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.22 155.98 7.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -172.46 144.19 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -151.21 176.92 10.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.27 113.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.94 147.55 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 p -152.38 125.71 8.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.16 127.86 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.6 p -142.12 163.62 32.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.1 146.32 18.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -176.6 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 141.45 109.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.8 p -128.02 144.15 50.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 111.2 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.706 2.271 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -51.29 150.93 5.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.721 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 96.59 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -97.0 137.18 21.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.87 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.27 . . . . 0.0 112.345 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.41 166.0 30.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -41.33 141.84 1.03 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 116.11 4.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -146.45 63.37 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 41.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 20.0 m -120.91 -41.07 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -64.44 131.01 45.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 HG23 ' CB ' ' A' ' 54' ' ' ALA . 3.8 p -58.99 -38.07 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -67.81 -37.34 81.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' ARG . 58.0 tt0 -86.77 -71.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' ARG . 0.6 OUTLIER -33.96 -33.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.7 tpt180 -34.23 -58.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -41.61 -49.99 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -42.11 -43.59 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.09 -45.16 89.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -68.2 -59.19 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 48.9 mt-10 -41.86 -48.33 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 46' ' ' GLY . 17.7 mt -64.6 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -68.34 -52.74 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 13.5 ptpt -59.01 -10.63 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.76 -24.02 13.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.51 -34.85 4.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -51.27 97.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.473 ' CZ ' ' HD2' ' A' ' 77' ' ' LYS . 21.7 m-85 -82.69 -46.49 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.4 -36.15 29.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -84.43 -55.89 2.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.45 -51.86 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.19 -56.07 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.51 -51.85 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.19 -59.26 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -47.97 -38.37 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.0 m -58.09 -59.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.44 -56.84 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' A' ' 28' ' ' VAL . . . -45.14 -49.06 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.79 -32.35 70.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.36 31.64 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 26' ' ' SER . 75.1 mt -137.4 151.31 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.63 86.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 64' ' ' GLN . . . -118.23 155.9 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -48.58 157.0 0.77 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.48 23.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -93.6 -35.73 12.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.442 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -78.69 -26.35 44.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 54.7 mt-30 -66.46 -45.09 80.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.43 ' CB ' ' OD1' ' A' ' 95' ' ' ASP . . . -66.32 -56.5 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 63' ' ' ASP . 6.3 p -46.67 -38.66 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.2 mt -69.15 -38.42 78.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.474 ' CE1' ' HE2' ' A' ' 90' ' ' LYS . 13.5 m-70 -57.41 -46.52 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.7 ptt180 -70.37 -33.95 72.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 8.6 m120 -59.45 -51.95 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -43.58 -43.63 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.07 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.17 -59.62 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.89 -48.12 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 58.2 m-70 -50.22 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' HIS . 28.3 mt -37.22 -42.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.473 ' HD2' ' CZ ' ' A' ' 44' ' ' TYR . 56.4 mmtt -67.38 -41.95 84.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.9 mt -83.29 42.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 17.9 mt-10 35.55 32.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' LEU . 90.8 m-20 -109.61 39.62 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 111' ' ' LYS . 77.6 m-85 -41.02 -48.04 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -43.46 -53.78 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -54.29 -45.05 72.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.57 -40.25 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -52.51 -46.79 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -74.6 -38.53 62.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.464 ' HA ' ' CD ' ' A' ' 90' ' ' LYS . 62.8 mm-40 -64.47 -32.98 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 -37.22 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 t -76.16 -23.64 54.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.474 ' HE2' ' CE1' ' A' ' 68' ' ' HIS . 9.6 ptmt -87.12 -25.16 24.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.34 -35.79 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' GLY . 57.5 mt -64.9 -56.35 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -47.28 -45.98 24.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 64' ' ' GLN . 7.7 mmtp -49.75 -49.85 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 17.5 m-20 -88.05 -66.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 122.98 -49.51 0.89 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -123.21 65.15 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -122.29 102.94 8.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 3.1 m -66.27 -29.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HG3' ' NH1' ' A' ' 69' ' ' ARG . 25.3 mmtm -44.88 -59.99 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.09 -60.17 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -47.09 -39.23 12.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 -72.6 -39.74 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -52.57 -38.89 60.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -67.36 -22.65 65.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -72.31 -43.02 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD1' ' OD2' ' A' ' 121' ' ' ASP . 43.2 mt -59.98 -55.62 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -43.27 -42.53 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 21.3 mmtt -71.68 -50.42 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.03 -24.92 60.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.95 31.54 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.483 ' NE ' ' OE1' ' A' ' 117' ' ' GLN . 26.4 mtp85 -121.9 82.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.82 -35.17 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.465 ' HB3' ' NE2' ' A' ' 117' ' ' GLN . 16.9 t0 -49.69 -40.39 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.483 ' OE1' ' NE ' ' A' ' 114' ' ' ARG . 1.7 mp0 -82.12 -43.54 17.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.81 -43.1 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.81 -64.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.3 mt -46.11 -52.21 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 109' ' ' LEU . 24.3 m-20 -50.85 -46.13 60.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 139' ' ' LEU . 31.4 mt -64.37 -45.18 88.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -38.79 -43.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -67.09 -49.12 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 71.1 m -39.54 -47.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.91 -38.17 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -60.19 -40.6 90.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.47 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 10.6 mt -78.84 -42.95 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -115.01 90.21 22.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -25.21 28.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 19.1 ptpt -81.37 -42.13 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.491 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 6.3 m120 -54.83 106.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' VAL . 40.8 mtmt -78.43 -43.27 27.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' LYS . 59.0 t -36.16 -42.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.491 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.2 m-85 -67.37 -48.76 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -50.07 -21.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.415 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 2.1 mm-40 -93.79 -46.38 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.62 -43.64 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.44 ' N ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -65.64 -71.09 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.415 ' CG ' ' HA ' ' A' ' 137' ' ' GLU . 13.6 ptt85 -42.45 -34.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -54.19 -54.73 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 143' ' ' SER . 26.0 pt -80.23 -42.8 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 142' ' ' ILE . 3.2 t -54.5 -44.31 72.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -68.19 -166.02 3.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.24 54.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.4 p -115.49 -45.47 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 68.0 p 41.35 42.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -162.95 173.71 13.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -155.93 165.55 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.72 -176.5 39.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -145.71 177.69 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -157.39 173.3 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.96 118.63 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -163.47 175.92 10.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.0 t -150.28 152.34 34.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.4 t -139.56 124.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -56.89 168.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.22 -113.31 1.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.56 56.49 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.304 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.17 -138.04 5.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.0 m -165.8 105.04 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 164.17 35.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -157.35 145.3 14.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 151.01 68.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -79.85 144.05 59.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 109.94 2.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.44 30.59 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 t -160.99 141.21 8.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.27 32.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.98 172.07 28.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.43 56.34 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -121.74 -23.06 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t -59.27 136.87 58.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.456 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 1.4 p -52.23 -48.11 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -50.49 -39.17 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' ARG . 3.3 tp-100 -86.73 -67.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -37.92 -27.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' GLN . 2.2 ttp85 -40.49 -45.79 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -53.06 -50.92 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -41.23 -40.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.88 -43.9 48.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -69.06 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' N ' ' HE3' ' A' ' 40' ' ' LYS . 51.4 mt-10 -39.56 -44.28 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 47' ' ' ALA . 48.9 mt -68.7 -34.61 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -69.79 -49.68 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 37' ' ' GLU . 13.2 ptpt -62.87 -7.38 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.7 t -105.37 -19.59 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.05 -33.4 5.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.51 98.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 18.5 m-85 -84.95 -44.36 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.57 -30.45 20.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -92.54 -57.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -38.95 -35.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 111.055 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.66 -46.1 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -49.9 -43.17 49.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.39 -50.97 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -55.79 -36.89 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -55.99 -51.55 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.26 -49.41 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB1' ' CG2' ' A' ' 28' ' ' VAL . . . -43.62 -53.53 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.38 -39.05 91.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.2 -44.84 74.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 59' ' ' ALA . 27.0 mt -75.64 134.01 40.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -55.91 84.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' LEU . . . -99.47 153.37 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -37.58 156.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -13.63 34.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -93.96 -19.16 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.77 -31.23 15.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.6 mt-30 -61.7 -30.32 70.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -77.96 -66.18 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' ALA . 11.4 p -37.53 -36.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 HD22 ' CB ' ' A' ' 54' ' ' ALA . 10.5 mt -71.97 -46.08 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' ALA . 19.2 m-70 -52.06 -49.95 62.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.43 -23.21 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.68 -47.04 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 14.2 mtp-105 -57.24 -29.72 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.93 91.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.58 -56.23 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.23 -51.75 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -57.72 -53.24 60.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 81' ' ' TYR . 71.9 mt -47.45 -50.56 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 27.9 mmtm -61.34 -29.13 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.5 mt -97.8 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 4.4 tt0 35.35 45.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ASP . 35.2 t0 -125.77 35.7 4.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.3 m-85 -40.75 -26.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 80' ' ' ASP . 6.9 m-20 -47.27 -68.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' N ' ' HE3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -61.35 -42.21 98.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.95 -60.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -44.91 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.5 m -38.5 -57.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -52.53 -37.37 57.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' GLU . . . -64.33 -36.3 83.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.4 p -76.01 -27.15 57.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -74.73 -33.06 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.05 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.0 mt -82.42 -52.43 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 14.0 pt-20 -60.8 -39.52 89.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 17.2 mmtt -54.16 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -94.07 -70.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.43 -55.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.17 57.86 2.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -129.19 96.37 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.0 m -73.83 -23.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -53.6 -35.33 60.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.68 -44.48 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt -47.48 -50.73 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.79 -48.42 72.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -54.46 -45.08 73.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -53.32 -54.75 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -48.55 -47.15 39.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.59 -36.92 37.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -82.63 -53.04 6.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 108' ' ' ALA . 78.4 mt -35.76 -56.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -51.17 -55.3 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.548 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 6.8 tptt -53.83 -50.74 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.77 -24.29 61.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.97 -17.55 8.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.73 102.01 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.68 -64.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -37.49 -46.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -61.48 -51.21 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.14 -45.67 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.403 HG22 ' CD1' ' A' ' 142' ' ' ILE . 40.6 t -70.42 -44.84 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.3 mt -56.82 -55.57 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 121' ' ' ASP . 0.1 OUTLIER -51.17 -35.64 37.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 124' ' ' ARG . 83.2 mt -70.94 -52.88 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -38.82 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' LEU . 69.2 mtt180 -84.28 -46.25 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' LEU . 19.5 p -58.82 -25.94 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.1 t -77.44 -32.48 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -69.44 -53.12 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.465 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -63.14 -25.71 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.419 ' HG3' ' ND2' ' A' ' 132' ' ' ASN . 31.8 mm-40 -125.08 88.99 53.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.7 12.56 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 133' ' ' LYS . 16.3 mmmt -110.44 -53.3 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' A' ' 129' ' ' GLU . 2.0 m-20 -36.62 95.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 131' ' ' LYS . 13.7 mmtp -73.65 -39.51 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.541 HG23 ' CD1' ' A' ' 135' ' ' PHE . 34.1 m -37.59 -32.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.541 ' CD1' HG23 ' A' ' 134' ' ' VAL . 16.3 m-85 -76.66 -51.07 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -51.93 -28.88 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.93 -47.29 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.79 -36.39 64.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.96 -58.86 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -66.77 -35.52 80.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -52.97 -27.8 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 143' ' ' SER . 28.2 pt -108.41 -30.63 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 142' ' ' ILE . 4.8 t -74.15 -20.2 60.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 136.99 142.96 4.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 164.6 33.91 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.1 t -72.61 -57.48 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.3 p -80.7 108.22 14.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -166.96 119.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -153.98 163.81 39.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.68 145.56 11.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -173.86 152.76 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -154.36 176.1 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.1 125.1 2.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.538 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.8 ttm -174.08 128.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 83.4 m -161.11 131.03 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -147.36 134.75 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -170.77 163.5 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.92 82.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -177.42 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.42 145.14 4.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 m -160.26 127.38 2.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.709 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.53 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -125.81 144.28 47.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.675 0.75 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.56 7.94 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.301 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -116.62 81.9 11.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -176.29 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 71.83 34.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -121.32 141.73 33.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.134 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 114.96 3.88 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.62 111.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.01 108.75 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -114.69 40.18 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.1 m -92.88 117.99 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.44 HG22 ' CB ' ' A' ' 54' ' ' ALA . 1.5 p -40.19 -30.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.6 -46.68 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.7 tp-100 -87.13 -61.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -37.75 -32.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -39.15 -59.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -43.33 -44.56 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -42.16 -41.67 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.97 -52.3 29.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -54.98 -56.92 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.52 -41.76 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 47' ' ' ALA . 23.3 mt -71.5 -35.34 70.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.4 t80 -66.72 -50.96 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -63.16 -7.33 5.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.14 -23.51 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 -32.7 5.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.35 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -83.33 -49.2 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.14 -32.04 9.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.7 -56.48 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.419 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -37.53 -41.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.41 -48.93 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.7 -51.7 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.23 -55.86 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -50.08 -33.93 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.0 m -60.28 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -48.2 -51.21 26.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' CB ' HG22 ' A' ' 28' ' ' VAL . . . -49.61 -50.9 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD1' ' CZ ' ' A' ' 71' ' ' ARG . 19.3 mt -63.63 -46.03 87.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.29 -44.24 27.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.23 148.15 47.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -73.27 85.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.59 174.64 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.28 159.19 31.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.165 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.29 36.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.312 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -89.76 -17.86 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.35 -31.99 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.55 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 13.5 mt-30 -59.91 -21.46 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -83.13 -63.18 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 67' ' ' LEU . 10.9 p -42.46 -36.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.437 ' N ' HG13 ' A' ' 66' ' ' VAL . 17.7 mt -75.53 -31.49 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 7.7 m-70 -67.7 -54.05 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -61.23 -27.22 68.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 2.8 m-80 -78.16 -56.33 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 55' ' ' LEU . 16.6 mtm180 -39.57 -45.78 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.48 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -41.58 -50.42 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -43.55 -63.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.4 m -38.36 -56.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -54.89 -59.08 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 81' ' ' TYR . 22.0 mt -43.68 -45.25 6.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -64.93 -35.94 82.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.41 35.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 51.19 46.7 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -126.11 74.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.63 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 18.6 m-85 -88.31 -34.7 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.29 -37.61 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -86.1 -46.27 10.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.9 -57.65 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.77 -48.42 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -56.34 -59.73 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 44.1 mt-10 -46.35 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.99 -60.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.3 t -40.89 -56.37 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -49.17 -48.96 44.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.23 -62.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.449 ' CD1' ' HG ' ' A' ' 102' ' ' LEU . 70.2 mt -52.24 -25.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.52 -37.17 32.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -59.51 -50.07 75.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.24 -70.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.96 -41.67 1.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.15 53.88 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.13 92.34 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 17.8 m -64.02 -35.72 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 99' ' ' VAL . 14.3 mmmm -37.48 -38.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.46 -37.71 25.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' ' 92' ' ' ILE . 7.9 mt -58.28 -40.73 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -69.03 -27.99 66.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -83.33 -32.55 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.8 -45.06 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.8 p -50.5 -45.55 56.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -49.58 -35.05 19.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.08 -55.55 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.1 mt -44.17 -42.72 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -56.69 -54.38 46.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.63 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -62.53 -26.81 68.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.84 -0.33 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.53 8.51 87.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -97.81 57.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 116' ' ' ASP . 50.6 mt -55.89 -60.49 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' LEU . 3.3 m-20 -35.3 -42.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -68.88 -50.91 45.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -38.55 -47.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.0 t -63.77 -42.43 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.4 -51.14 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.1 -17.09 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.3 mt -92.85 -39.49 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.75 -20.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -88.01 -32.69 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.408 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 94.7 m -54.68 -27.11 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.24 -39.5 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.8 t -61.99 -35.88 79.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -83.85 -38.98 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -126.45 84.01 63.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.743 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.03 20.02 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -99.35 -28.05 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.688 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 0.9 OUTLIER -66.1 76.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -46.86 -40.61 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.468 ' N ' ' HG2' ' A' ' 133' ' ' LYS . 28.5 m -39.11 -40.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.688 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 13.9 m-85 -72.13 -52.51 16.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -43.72 -29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -92.65 -52.1 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -41.94 -31.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -57.54 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -34.82 76.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.5 -37.14 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 pt -102.9 -24.42 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.6 t -75.55 -21.21 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -60.92 146.19 47.7 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 155.81 64.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 26.8 m -62.8 149.34 44.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.9 p -102.02 143.28 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -167.42 147.68 5.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -155.53 172.31 18.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.82 173.3 39.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -122.05 157.21 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -126.94 153.17 46.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.69 133.5 2.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -170.66 153.85 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -172.8 141.83 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -152.96 166.34 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.59 171.6 13.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.33 93.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -175.24 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.25 178.9 18.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.3 p -135.28 141.95 39.76 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.573 0.702 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -172.43 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -152.04 143.09 15.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -173.24 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -134.37 138.09 29.42 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.711 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 137.05 34.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.53 163.67 23.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.6 t -173.39 141.03 0.89 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.53 0.681 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -173.47 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.78 136.74 3.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.32 116.66 21.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.03 -72.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t -172.41 -175.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.46 HG21 ' CB ' ' A' ' 54' ' ' ALA . 3.2 p -50.58 -38.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.27 -34.91 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.4 tp-100 -91.02 -69.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -34.09 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.2 ttp180 -34.96 -51.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -52.5 -49.28 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -39.82 -40.44 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.73 -63.56 3.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.1 m-20 -56.17 -53.9 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -42.65 -42.92 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.3 mt -74.77 -32.2 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 36' ' ' ASN . 19.1 t80 -68.17 -52.51 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -4.22 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.8 t -103.96 -24.44 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.31 -33.34 4.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -59.34 93.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -80.14 -48.07 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.83 -37.4 35.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -81.52 -55.27 3.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.13 -49.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' ALA . 2.7 tm? -54.74 -55.53 29.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -37.42 -57.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.45 -55.05 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -50.05 -46.45 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.9 m -49.6 -53.23 25.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -56.37 -58.43 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 28' ' ' VAL . . . -36.92 -54.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.09 -44.72 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.06 -42.78 23.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -73.89 148.38 42.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.13 81.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.17 167.98 10.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 p -52.81 156.24 3.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -94.53 -42.85 8.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.05 -43.81 91.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -47.76 -55.17 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.16 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.03 -39.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.02 -42.33 73.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -59.09 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -63.61 -36.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -69.17 -45.1 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -49.44 -51.64 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.4 -40.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB1' ' NH1' ' A' ' 104' ' ' ARG . . . -51.53 -58.22 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.4 m -45.32 -52.82 9.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -57.69 -54.94 41.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.2 mt -40.37 -47.89 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -68.4 -39.67 81.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.26 40.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.9 47.01 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.71 51.26 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.484 ' CD2' ' HG2' ' A' ' 111' ' ' LYS . 44.8 m-85 -63.11 -43.79 97.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.61 -61.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mtpt -61.27 -53.47 56.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.66 -51.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -45.11 -47.44 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' LYS . 17.0 m -63.55 -59.67 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -42.89 -30.48 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.7 -48.06 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.2 t -62.24 -25.47 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -87.09 -35.44 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.6 69.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.86 -63.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -46.81 -31.61 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -52.88 -59.18 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.36 -56.31 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.23 23.6 21.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.26 35.82 0.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -127.1 80.01 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 6.2 m -51.3 -37.45 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' VAL . 19.9 mmtp -35.99 -39.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.19 -54.03 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.3 mt -42.73 -54.69 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -48.15 -43.14 31.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.4 ' NH1' ' HB1' ' A' ' 73' ' ' ALA . 6.1 mmt180 -70.48 -41.43 72.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -51.34 -50.02 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 p -45.38 -44.01 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -49.4 -45.15 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 -43.35 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.6 mt -52.39 -58.45 6.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -50.93 -44.88 60.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.484 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 10.0 tptt -59.41 -37.43 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mt -84.83 28.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 54.23 30.58 48.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -106.47 41.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.5 mt -52.4 -38.16 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.23 -38.54 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -78.06 -47.15 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.29 -39.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.56 -55.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.25 -44.27 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -49.18 78.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.57 -43.97 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.431 ' HG2' ' CD1' ' A' ' 139' ' ' LEU . 24.2 mt-30 -42.6 -40.59 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 127' ' ' SER . 43.1 mtt-85 -59.88 -53.81 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.506 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 40.9 m -38.2 -59.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.9 t -48.06 -35.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.4 t -57.35 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.486 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 1.9 mp -55.46 -46.33 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 132' ' ' ASN . 23.5 mm-40 -119.25 99.86 50.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.74 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -24.65 29.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -88.16 -46.5 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.7 m120 -36.39 117.3 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 136' ' ' GLN . 12.5 ttpt -87.47 -45.07 10.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 133' ' ' LYS . 77.0 t -35.48 -33.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 27.0 m-85 -73.16 -47.46 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 133' ' ' LYS . 64.9 mt-30 -57.37 -50.96 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.3 pt-20 -57.51 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 137' ' ' GLU . . . -63.9 -58.88 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 123' ' ' GLN . 1.0 OUTLIER -63.94 -39.36 93.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -66.52 -29.01 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 56.8 m-20 -69.45 -50.99 40.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 143' ' ' SER . 49.1 pt -75.25 -37.56 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.457 ' N ' HG13 ' A' ' 142' ' ' ILE . 6.2 t -69.69 -41.01 75.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -97.17 177.09 32.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 142.76 48.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 147' ' ' SER . 29.1 t -112.12 -62.83 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 146' ' ' SER . 67.5 m -37.25 -49.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' GLN . 16.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.017 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.7 p -35.27 -40.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 5.5 pt-20 -58.72 -46.68 86.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' SER . 38.0 tt0 -90.64 -68.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.38 -42.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' N ' HD12 ' A' ' 31' ' ' LEU . 31.5 ttt180 -36.55 -49.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -46.78 -44.78 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.673 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 18.1 tt0 -42.98 -44.45 4.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.55 -64.03 4.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.43 ' C ' ' HE3' ' A' ' 40' ' ' LYS . 10.7 m120 -54.54 -46.58 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -51.08 -41.41 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.79 -30.55 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -69.35 -49.09 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.7 ptpt -61.32 -8.91 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -104.88 -21.58 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.15 -29.24 7.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.95 93.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.58 -46.31 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.27 -38.61 26.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -82.31 -53.67 3.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.449 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.44 -50.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.88 -53.98 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.47 -51.77 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.673 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -55.46 -54.23 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -53.44 -35.31 60.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -58.94 -58.74 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.6 -51.83 52.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.017 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -47.55 -47.73 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.506 HD12 ' HE ' ' A' ' 71' ' ' ARG . 16.2 mt -68.38 -27.23 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.46 33.23 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -137.1 -179.42 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -88.55 60.18 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.976 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -85.18 166.18 16.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 159.79 80.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.51 36.08 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.366 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -85.47 -23.01 28.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.43 -33.33 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.735 ' HA ' HD12 ' A' ' 67' ' ' LEU . 43.2 mt-30 -57.16 -35.3 69.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.0 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.15 -32.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 64' ' ' GLN . 6.5 mt -73.86 -41.37 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -56.67 -51.88 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -63.7 -24.42 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -76.36 -41.15 49.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.506 ' HE ' HD12 ' A' ' 55' ' ' LEU . 14.9 mtt180 -53.67 -43.52 68.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.64 66.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.92 -50.11 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.2 m -59.8 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' LEU . 22.5 m-70 -54.67 -59.16 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.483 HD23 ' HD1' ' A' ' 81' ' ' TYR . 28.5 mt -39.45 -48.96 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -65.89 -32.77 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' HIS . 7.4 mt -96.16 46.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' LEU . 6.1 tt0 36.3 47.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 9.6 m-20 -121.42 43.01 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.483 ' HD1' HD23 ' A' ' 76' ' ' LEU . 6.3 m-85 -55.48 -50.5 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.43 -55.81 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' ALA . 27.9 mttt -72.12 -51.72 20.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.68 -49.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -52.33 -56.77 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.3 m -53.37 -57.55 10.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.74 -53.22 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 101' ' ' ALA . . . -46.93 -52.98 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.0 t -49.61 -46.26 49.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.12 -34.5 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.25 -20.3 37.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -83.64 -37.66 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.26 -42.73 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -45.7 -57.05 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -110.92 -70.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 129.12 -35.36 2.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.35 23.64 26.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.02 80.27 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.856 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.6 m -62.45 -19.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -55.87 -56.74 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 88' ' ' ALA . . . -64.09 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 99' ' ' VAL . 22.7 mt -68.23 -51.25 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -60.51 -28.91 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -84.77 -39.88 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.429 ' NH2' ' OD1' ' A' ' 121' ' ' ASP . 15.8 ttp180 -55.3 -50.62 69.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -51.58 -49.22 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -48.97 -43.71 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.3 -51.77 48.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 112' ' ' LEU . 47.5 mt -50.41 -54.8 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -40.85 -36.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.468 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 9.3 mptt -77.7 -39.96 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 109' ' ' LEU . 45.1 mt -64.62 -23.35 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.65 -7.2 27.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -89.69 91.39 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 116' ' ' ASP . 20.7 mt -79.7 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.1 m-20 -36.34 -47.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 120' ' ' LEU . 17.4 mm-40 -63.05 -52.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.632 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -45.56 -35.97 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.42 HG13 HD21 ' A' ' 139' ' ' LEU . 21.4 t -72.53 -44.94 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 117' ' ' GLN . 11.7 mt -52.45 -54.41 32.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.429 ' OD1' ' NH2' ' A' ' 105' ' ' ARG . 74.0 m-20 -53.92 -50.48 66.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' CYS . 40.6 mt -55.72 -52.1 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -40.98 -33.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -74.07 -39.48 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 122' ' ' LEU . 60.4 m -54.33 -34.1 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.9 t -66.61 -38.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.0 t -61.47 -61.56 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.791 ' HB2' HG11 ' A' ' 99' ' ' VAL . 2.8 mm? -50.12 -55.23 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.89 88.78 8.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.697 0.76 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.26 9.9 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -106.61 -43.25 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -51.92 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 135' ' ' PHE . 17.8 mtpt -71.38 -34.69 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 133' ' ' LYS . 69.9 t -35.55 -31.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 133' ' ' LYS . 19.4 m-85 -82.14 -51.69 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -47.39 -25.23 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -95.68 -53.02 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.6 -28.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.42 HD21 HG13 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -68.58 -59.68 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.9 -18.74 63.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.48 -33.2 73.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.632 HD12 ' HB3' ' A' ' 118' ' ' ALA . 5.1 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.92 0.391 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.103 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.7 p -55.04 -24.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -78.36 -46.45 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' LEU . 2.9 tp60 -82.54 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.694 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -35.56 -40.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' LEU . 12.0 ttt180 -34.85 -54.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -40.1 -48.89 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 17.0 tt0 -45.65 -43.46 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.36 -62.06 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.4 m-20 -59.05 -57.51 12.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 8.1 mm-40 -39.48 -41.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.0 mt -72.18 -35.89 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.3 t80 -68.25 -52.95 28.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -55.65 -13.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.1 t -104.45 -24.43 13.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.78 -29.32 6.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.78 89.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -80.58 -47.16 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.95 -35.56 18.33 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.86 -51.15 3.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.23 -43.65 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 71' ' ' ARG . 2.8 tm? -62.0 -51.35 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.53 -50.32 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -53.63 -52.13 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -52.24 -43.67 64.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -47.19 -59.27 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -50.86 -63.52 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.103 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -38.56 -45.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.2 -42.53 83.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.72 -46.34 30.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.09 159.1 24.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -80.35 46.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.823 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -58.99 160.64 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.81 157.5 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -18.26 36.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -84.91 -31.37 23.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -38.37 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 67' ' ' LEU . 63.1 mt-30 -57.65 -55.38 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.46 ' CB ' ' OD1' ' A' ' 95' ' ' ASP . . . -45.3 -40.97 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.46 -55.54 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' GLN . 9.1 mt -54.2 -30.81 51.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.827 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 8.8 m-70 -65.45 -58.21 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -62.44 -21.59 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -79.08 -54.86 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HD2' HD21 ' A' ' 48' ' ' LEU . 21.8 mtm180 -44.39 -55.02 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.62 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.2 m -43.03 -47.79 5.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 78' ' ' LEU . 37.7 m-70 -58.21 -61.45 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -40.32 -44.23 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -70.02 -35.47 74.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.1 mt -92.32 45.42 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.9 mt-10 36.32 46.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -121.09 45.97 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CE1' ' HD3' ' A' ' 111' ' ' LYS . 35.0 m-85 -56.9 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -38.05 -57.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.8 mtpt -69.31 -44.15 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.89 -57.19 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -49.41 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.4 m -54.68 -54.14 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.55 -45.37 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.72 -52.03 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.0 p -50.3 -46.53 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -62.65 -41.31 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -62.39 -41.18 98.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.01 -65.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 11.6 pt-20 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 16.3 mmtp -50.2 -55.76 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 4.0 m-20 -94.84 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.89 -42.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.59 55.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -120.1 89.05 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.4 m -69.13 -29.34 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -46.96 -43.08 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.2 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.596 HD23 ' OD2' ' A' ' 121' ' ' ASP . 9.5 mt -52.92 -42.4 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -59.17 -28.96 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -85.89 -38.18 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -55.29 -35.17 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.4 p -69.88 -26.38 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.87 -41.16 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.98 -48.67 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.504 HD23 ' HD2' ' A' ' 114' ' ' ARG . 73.2 mt -46.91 -51.18 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.16 -50.53 48.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.401 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 2.2 mptp? -62.29 -33.52 74.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.4 24.37 0.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.28 26.45 50.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.504 ' HD2' HD23 ' A' ' 109' ' ' LEU . 95.7 mtt180 -106.21 57.35 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.81 -32.99 74.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.24 -33.28 74.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.679 ' HA ' HD12 ' A' ' 120' ' ' LEU . 2.2 mp0 -84.48 -38.22 20.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.21 -38.51 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 142' ' ' ILE . 53.1 t -66.36 -50.31 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.0 mt -56.24 -61.78 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.596 ' OD2' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -43.14 -39.2 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.697 ' HB2' HD13 ' A' ' 139' ' ' LEU . 54.0 mt -75.79 -40.8 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -47.79 -20.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -87.01 -53.18 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.58 -22.96 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 92.3 t -79.74 -25.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.1 t -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 9.2 mt -54.14 -31.53 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -130.1 88.45 48.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -24.23 29.74 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -83.68 -39.04 20.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.0 m120 -52.78 95.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -71.26 -35.0 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.0 t -45.78 -30.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 17.0 m-85 -78.51 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.76 -39.31 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.8 pt-20 -68.19 -33.29 74.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.48 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -75.57 -41.26 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.697 HD13 ' HB2' ' A' ' 122' ' ' LEU . 34.8 tp -67.27 -59.04 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -44.06 -22.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 138' ' ' ALA . 51.4 m-20 -70.62 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.508 HG13 HG22 ' A' ' 119' ' ' VAL . 5.5 pt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.607 ' C ' HD23 ' A' ' 31' ' ' LEU . 58.4 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.967 0.413 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.046 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -56.51 -23.11 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.75 -41.77 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -90.95 -65.73 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -39.32 -34.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -39.36 -43.14 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.1 -42.6 99.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.4 tp10 -43.62 -36.37 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.88 -55.51 4.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -52.23 -46.78 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 6.4 pt-20 -59.57 -28.92 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -74.11 -48.58 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 6.1 ptpt -51.29 -16.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.3 m -103.35 -24.74 13.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 118.51 -28.92 6.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.468 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.0 93.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 15.1 m-85 -80.25 -49.45 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.17 -27.76 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.427 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -91.57 -57.01 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.3 -40.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.2 tm? -68.68 -42.53 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.9 -45.32 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -52.79 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.11 -31.31 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 m -63.69 -59.23 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -49.51 -53.32 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.046 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -45.54 -41.12 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -33.92 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.12 36.95 2.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.0 mt -142.67 155.19 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.12 85.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB3' ' OE1' ' A' ' 64' ' ' GLN . . . -119.5 141.23 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.55 159.52 0.68 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.704 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.48 28.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.325 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.24 -23.76 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.25 -37.93 31.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.61 ' OE1' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -57.13 -58.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.0 -39.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.51 -55.52 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.7 -25.62 54.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -71.27 -52.88 16.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -58.79 -26.08 63.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.58 -53.81 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HE ' HD21 ' A' ' 48' ' ' LEU . 37.0 mtp180 -44.07 -51.01 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.72 -47.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.74 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.3 m -46.36 -55.54 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -54.96 -50.5 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.9 mt -48.87 -52.73 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -62.41 -33.39 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' GLU . 8.6 mt -90.67 45.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 5.8 tm-20 33.4 50.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -129.54 49.6 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.483 ' CG ' ' HG2' ' A' ' 111' ' ' LYS . 34.9 m-85 -60.8 -37.07 80.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.57 -53.47 18.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' ALA . 83.8 mttt -70.35 -53.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -37.51 -44.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -49.58 -48.56 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 m -57.37 -55.53 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' ALA . 81.5 mm-40 -49.68 -62.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.47 -58.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -54.02 -52.11 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -49.2 -48.17 45.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.43 -20.95 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' GLY . 97.9 mt -85.43 -59.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -54.89 -15.59 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -70.33 -59.2 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -107.45 -37.7 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 99.67 -54.24 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.82 59.64 4.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -123.11 77.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.765 HG21 ' OE2' ' A' ' 129' ' ' GLU . 18.2 m -57.99 -24.87 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -55.13 -56.42 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.36 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 99' ' ' VAL . 6.7 mt -58.97 -50.9 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -59.81 -37.1 78.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -69.09 -48.6 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -49.18 -41.7 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.452 ' HA ' HD12 ' A' ' 109' ' ' LEU . 53.1 p -53.64 -43.21 68.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.96 -46.98 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.71 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.495 HD11 ' OD2' ' A' ' 121' ' ' ASP . 40.5 mt -65.83 -59.3 4.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.83 -28.59 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.2 tppt? -77.45 -51.27 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.88 -22.71 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 34.35 3.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -118.09 59.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 119' ' ' VAL . 16.8 mt -60.29 -25.28 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -64.59 -38.84 92.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.615 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.5 mp0 -81.24 -44.39 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.37 -36.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 142' ' ' ILE . 63.4 t -66.57 -55.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 117' ' ' GLN . 5.6 mt -52.45 -51.97 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.495 ' OD2' HD11 ' A' ' 109' ' ' LEU . 13.9 m-20 -58.08 -44.47 87.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 126' ' ' VAL . 31.7 mt -67.96 -29.89 69.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -62.72 -18.28 62.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.433 ' HD3' HD21 ' A' ' 102' ' ' LEU . 43.4 mtp180 -86.16 -56.02 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 31.5 p -48.7 -21.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 122' ' ' LEU . 58.9 t -85.65 -29.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.6 t -72.56 -57.49 4.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.5 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.9 mt -61.67 -18.97 61.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.765 ' OE2' HG21 ' A' ' 99' ' ' VAL . 12.5 mt-10 -135.04 95.56 15.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.8 Cg_endo -69.67 -43.59 2.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' LYS . 25.2 mtpt -71.78 -38.35 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.1 m120 -47.14 91.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' LYS . 7.7 ttmt -74.26 -37.23 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 87.4 t -39.98 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.3 m-85 -79.48 -55.65 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -50.6 -46.04 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.55 -33.5 73.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -79.33 -33.67 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -46.46 -21.21 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -68.94 -60.95 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.483 HG13 HG22 ' A' ' 119' ' ' VAL . 4.4 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.2 p -42.98 -33.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -81.79 -41.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.25 -64.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.2 pp -42.99 -28.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -38.8 -45.98 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -55.5 -41.17 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tp10 -47.48 -38.64 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.15 -63.5 3.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -54.87 -53.07 60.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.96 -39.93 9.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -74.13 -33.61 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -68.37 -50.85 50.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -60.89 -9.25 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 t -104.43 -22.78 13.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.43 -29.05 7.83 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.35 92.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -79.51 -47.26 15.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.36 -34.74 9.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -87.79 -53.83 2.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -38.07 -48.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.58 -49.75 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.04 -40.87 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.08 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -55.92 -37.78 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.5 m -53.75 -54.49 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -57.02 -58.82 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -40.14 -43.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD12 ' HD2' ' A' ' 71' ' ' ARG . 28.2 mt -73.48 -39.55 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.93 -44.36 55.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.1 mt -67.13 160.17 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.07 82.23 8.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -101.95 169.85 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -55.69 158.75 5.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.24 35.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.532 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.8 tt0 -87.55 -35.24 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -68.67 -45.35 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 19.5 mt-30 -51.29 -55.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.91 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 62' ' ' GLN . 79.6 t -59.29 -37.14 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.84 -32.6 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -64.07 -50.38 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 7.4 ptm180 -59.85 -20.88 59.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -84.16 -55.95 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HD2' HD12 ' A' ' 55' ' ' LEU . 62.4 mtp180 -37.05 -53.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . -41.24 -59.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . . . -36.7 -50.31 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.31 -50.36 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 10.4 m-70 -56.56 -52.19 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.3 mt -48.51 -49.71 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -64.68 -37.08 86.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.3 mt -86.32 39.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 37.64 43.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -120.85 43.14 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -55.03 -31.24 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' HA ' HD21 ' A' ' 112' ' ' LEU . 5.0 m-20 -52.42 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -69.05 -35.87 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . . . -45.53 -60.02 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -46.7 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.8 m -50.6 -54.67 20.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.77 -52.71 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.35 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.3 t -52.83 -43.91 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -55.86 -40.84 73.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.65 79.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' GLY . 80.2 mt -68.84 -58.78 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.27 -46.81 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -41.47 -57.02 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -104.86 -68.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 129.49 -48.45 0.97 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -96.14 47.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -108.46 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.015 HG13 HD22 ' A' ' 128' ' ' LEU . 11.6 m -73.9 -15.16 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 43.2 mmtt -62.23 -56.48 18.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 69' ' ' ARG . . . -65.88 -30.05 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 99' ' ' VAL . 11.0 mt -59.12 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -42.8 -34.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -77.76 -52.06 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -38.84 -59.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.2 p -41.07 -48.28 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 111' ' ' LYS . 93.6 mm-40 -42.3 -45.39 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -71.28 -59.01 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.46 HD22 ' HD3' ' A' ' 114' ' ' ARG . 87.4 mt -37.72 -54.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.8 -39.1 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -75.09 -24.88 58.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 82' ' ' ASP . 83.3 mt -88.29 5.87 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.93 19.16 65.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.46 ' HD3' HD22 ' A' ' 109' ' ' LEU . 95.9 mtt180 -105.56 82.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.0 -51.2 57.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.75 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.6 mp0 -67.45 -49.15 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.47 -39.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.68 -50.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.0 mt -55.17 -50.18 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.422 ' OD2' HD23 ' A' ' 102' ' ' LEU . 8.3 t70 -52.39 -53.09 49.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 123' ' ' GLN . 39.5 mt -60.97 -52.2 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 122' ' ' LEU . 55.1 mt-30 -35.02 -38.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -63.21 -51.77 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 122' ' ' LEU . 34.6 m -46.29 -27.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.78 -39.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.7 t -63.85 -62.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.015 HD22 HG13 ' A' ' 99' ' ' VAL . 2.5 mp -52.73 -46.01 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -120.95 91.64 47.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.85 17.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -37.48 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.8 m-80 -52.36 107.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -82.17 -30.62 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 41.3 t -49.57 -27.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.7 m-85 -82.34 -41.98 19.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.36 -37.92 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -41.26 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.461 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -64.25 -68.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 138' ' ' ALA . 4.3 tp -33.0 -66.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' LEU . 16.6 mmm180 -35.76 -42.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 138' ' ' ALA . 20.5 m-20 -47.39 -65.76 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.2 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.903 0.382 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -49.51 -44.05 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.0 -25.44 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -91.08 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -45.63 -26.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -39.52 -39.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -67.75 -38.88 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.6 tp10 -47.25 -48.4 24.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -58.17 10.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -48.52 -62.46 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -40.01 -38.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 47' ' ' ALA . 74.9 mt -73.48 -38.1 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ASN . 20.9 t80 -68.53 -52.93 26.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -67.42 -3.47 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -109.54 -10.85 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.36 -31.53 8.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.49 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CZ ' ' HE3' ' A' ' 77' ' ' LYS . 29.7 m-85 -86.52 -48.64 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.78 -35.41 7.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.428 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -86.61 -55.29 2.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.478 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -37.37 -50.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.786 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.3 tm? -56.03 -51.99 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.13 -51.91 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 -48.05 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -55.95 -43.02 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -53.88 -43.63 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -54.98 -51.52 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.58 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -48.53 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 HH11 ' A' ' 71' ' ' ARG . 43.5 mt -50.29 -40.14 47.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.29 -42.13 72.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ALA . 59.2 mt -77.37 138.64 39.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.45 80.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.63 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -93.46 177.61 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 157.11 89.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.08 36.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.76 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.22 -40.01 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' HD12 ' A' ' 67' ' ' LEU . 65.7 mt-30 -56.45 -53.27 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.45 -47.88 13.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG13 ' NH2' ' A' ' 69' ' ' ARG . 23.7 t -61.92 -34.46 63.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 64' ' ' GLN . 11.9 mt -74.0 -33.83 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.722 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 25.9 m-70 -61.47 -37.43 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.446 ' NH2' HG13 ' A' ' 66' ' ' VAL . 16.1 ptt180 -81.35 -23.93 37.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.08 -49.48 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.599 ' HD2' HD22 ' A' ' 48' ' ' LEU . 30.7 mmm-85 -49.4 -56.64 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.581 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -44.3 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.0 m -39.54 -51.37 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 9.5 m-70 -54.11 -53.02 58.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 73' ' ' ALA . 29.2 mt -48.51 -45.5 37.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 23.1 mmmt -68.13 -36.53 79.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.64 39.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 38.77 49.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 57.6 m-20 -123.13 27.04 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 m-85 -41.88 -47.08 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 112' ' ' LEU . 30.8 t70 -36.93 -58.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -69.01 -45.09 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.91 -56.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE2' ' CG ' ' A' ' 105' ' ' ARG . 38.6 tp10 -41.67 -64.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -45.79 -58.3 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.0 mm-40 -49.91 -61.07 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -33.91 -58.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.442 ' HA ' HD12 ' A' ' 92' ' ' ILE . 35.0 t -49.55 -48.66 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -50.14 -43.74 52.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.722 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -68.49 -16.94 64.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 89' ' ' SER . 84.7 mt -89.41 -65.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -41.81 -47.75 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 19.2 mmtt -36.9 -51.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.15 -64.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.44 -50.51 0.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.86 47.44 2.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -113.48 90.96 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 102' ' ' LEU . 8.5 m -67.56 -39.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.41 ' N ' HG23 ' A' ' 99' ' ' VAL . 8.4 mmtp -41.25 -42.39 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.42 60.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 99' ' ' VAL . 12.8 mt -56.55 -54.0 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.81 -43.23 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.2 mmt-85 -61.48 -30.06 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.4 ' CG ' ' OE2' ' A' ' 85' ' ' GLU . 44.4 ttp180 -71.59 -49.13 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 p -51.25 -30.66 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -65.6 -31.41 72.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.12 -41.66 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.538 ' CD2' ' CZ ' ' A' ' 114' ' ' ARG . 47.8 mt -56.98 -41.3 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -58.14 -43.06 87.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.548 ' HE3' ' CE1' ' A' ' 81' ' ' TYR . 19.5 mmtt -75.8 -17.33 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 82' ' ' ASP . 65.1 mt -91.85 6.55 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.72 18.1 77.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.538 ' CZ ' ' CD2' ' A' ' 109' ' ' LEU . 65.8 mtp180 -107.34 53.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' ASP . 50.9 mt -55.29 -58.76 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 115' ' ' LEU . 31.6 m-20 -34.7 -44.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.719 ' HA ' HD12 ' A' ' 120' ' ' LEU . 14.3 mm-40 -73.17 -48.12 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.47 -40.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.499 HG13 HD21 ' A' ' 139' ' ' LEU . 19.1 t -67.77 -44.13 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 117' ' ' GLN . 12.1 mt -62.08 -40.95 97.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -28.58 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.616 ' CB ' HD12 ' A' ' 139' ' ' LEU . 84.7 mt -82.23 -36.37 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -55.45 -13.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -90.19 -56.03 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.5 p -50.87 -27.27 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.46 -28.26 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 t -79.46 -53.87 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.498 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 8.0 mt -58.2 -29.21 65.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.409 ' HG2' HG21 ' A' ' 99' ' ' VAL . 15.9 mm-40 -128.52 85.83 59.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -0.03 6.36 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.664 2.242 . . . . 0.0 112.38 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 133' ' ' LYS . 6.4 ptpp? -107.86 -40.09 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.415 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 4.4 m120 -54.45 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' LYS . 34.4 mtmm -66.09 -37.0 84.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.4 t -40.77 -35.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.415 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 14.3 m-30 -68.49 -57.98 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.95 -40.97 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.1 -43.67 86.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.31 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.616 HD12 ' CB ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -63.63 -32.88 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -74.51 -10.05 59.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -98.7 -24.45 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.8 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.7 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.924 0.393 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.981 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.1 p -57.94 -35.91 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.09 -39.73 63.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 32' ' ' ARG . 48.7 tt0 -86.74 -66.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.58 -32.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.84 HH21 HG22 ' A' ' 28' ' ' VAL . 6.2 ttm180 -35.01 -56.4 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -46.14 -42.37 13.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 7.6 tp10 -44.71 -47.45 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.03 -50.03 14.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -48.45 -56.85 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.35 -44.41 16.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 46' ' ' GLY . 12.9 mt -63.77 -29.59 70.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -75.35 -54.68 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -58.88 -10.71 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 t -103.77 -23.71 13.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.49 -29.74 6.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.07 96.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -81.67 -51.88 7.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.1 -36.05 9.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.486 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -82.68 -56.41 2.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.9 -44.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.345 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.494 HD21 ' NH1' ' A' ' 71' ' ' ARG . 2.1 tm? -61.03 -47.91 84.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.16 -54.99 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.36 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -54.24 -41.46 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.7 m -53.7 -54.2 41.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ALA . 7.4 mt-30 -50.0 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.981 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -37.55 -51.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.92 -42.76 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -44.53 23.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -71.35 155.83 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.2 83.29 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.715 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -101.25 160.16 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -43.35 154.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.28 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -87.68 -33.07 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.69 -45.63 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 67' ' ' LEU . 12.6 mt-30 -46.23 -62.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' GLN . . . -37.1 -46.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.9 t -57.22 -40.7 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 64' ' ' GLN . 9.6 mt -71.79 -40.55 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -56.82 -58.31 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -51.08 -35.31 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' ARG . 57.9 m-20 -63.6 -57.94 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' NH1' HD21 ' A' ' 48' ' ' LEU . 66.9 mtp85 -37.1 -53.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.6 -53.45 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -45.77 -48.08 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -54.76 -52.91 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -59.81 -53.86 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.7 mt -43.39 -47.11 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -69.26 -33.38 73.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.5 mt -87.04 42.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.1 mt-10 37.01 36.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -121.35 45.72 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 111' ' ' LYS . 35.1 m-85 -53.52 -43.48 68.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 112' ' ' LEU . 4.8 m-20 -37.09 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' ALA . 13.5 mtpp -61.03 -51.0 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.25 -53.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.459 ' OE2' HD23 ' A' ' 109' ' ' LEU . 4.2 tt0 -44.34 -60.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.414 HG22 ' HE2' ' A' ' 90' ' ' LYS . 94.9 m -52.0 -49.08 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.61 -50.74 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.32 -50.84 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.6 p -50.56 -45.73 57.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HE2' HG22 ' A' ' 86' ' ' THR . 26.0 mttm -50.72 -43.19 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.76 -31.69 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.52 -51.33 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.79 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -44.16 -61.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -108.31 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.74 -43.38 1.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.48 ' CA ' HD21 ' A' ' 128' ' ' LEU . . . -101.4 59.98 0.61 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.33 91.83 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.514 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 1.5 m -59.94 -39.95 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 27.3 mmtp -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.61 -46.09 20.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.36 -45.66 62.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -57.89 -33.86 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -74.88 -49.53 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -47.08 -57.61 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.6 p -44.7 -49.1 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -44.62 -49.79 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.96 -53.76 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.459 HD23 ' OE2' ' A' ' 85' ' ' GLU . 56.3 mt -43.58 -55.26 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -50.94 -44.41 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.523 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 7.6 mptt -63.68 -46.76 84.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 82' ' ' ASP . 29.5 mt -62.65 -28.94 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 126.38 -22.14 5.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.57 89.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -79.13 -65.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -40.28 -35.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -65.49 -49.14 70.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.02 -38.17 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.458 HG22 HG13 ' A' ' 142' ' ' ILE . 44.8 t -65.11 -53.43 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.32 -41.25 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.6 -48.66 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.57 -50.04 74.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -39.31 -40.61 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 127' ' ' SER . 71.3 mtt180 -60.51 -48.41 81.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 62.1 m -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.37 -36.75 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.6 t -58.34 -58.07 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.514 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.0 mp -61.17 -34.71 75.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.436 ' HG3' HG11 ' A' ' 99' ' ' VAL . 12.6 mt-10 -124.55 89.43 52.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 52.9 Cg_endo -69.83 3.06 3.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.3 OUTLIER -114.95 -44.44 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.574 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 2.0 t-20 -36.19 115.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -87.87 -27.43 22.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -55.86 -33.19 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 9.9 m-30 -75.1 -44.31 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -61.03 -43.75 98.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 5.5 pt-20 -66.91 -37.89 85.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.65 84.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 141' ' ' ASN . 3.7 tp -67.89 -63.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -39.53 -26.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 139' ' ' LEU . 62.6 m-20 -68.03 -62.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 119' ' ' VAL . 6.5 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.941 0.401 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -48.97 -43.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.33 -30.38 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.5 tt0 -90.6 -69.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -39.57 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -44.46 -44.46 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -57.41 -42.96 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -46.41 -43.1 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.84 -60.92 5.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -52.91 -57.86 8.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -40.38 -44.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.1 mt -69.96 -31.74 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' ASN . 17.4 t80 -70.39 -50.95 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.4 ptpt -61.19 -8.93 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.96 -20.42 13.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.0 -36.13 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -51.66 93.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -80.06 -45.44 18.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.16 -31.21 11.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.34 -54.55 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.84 -41.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.98 -43.01 79.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.97 -46.02 71.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.97 72.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -54.76 -35.94 64.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -57.08 -56.6 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.79 -48.73 72.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -43.86 -51.86 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.1 -41.1 95.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.39 -41.0 47.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.6 mt -77.52 143.64 38.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 6.0 p-10 -67.69 88.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.967 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -106.29 171.52 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.61 158.68 4.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.99 33.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -88.35 -26.11 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.506 ' O ' HD12 ' A' ' 67' ' ' LEU . 11.3 m-20 -84.05 -31.64 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 15.6 mt-30 -60.74 -32.47 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . . . -76.8 -67.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ALA . 12.1 p -37.15 -29.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 63' ' ' ASP . 12.9 mt -82.41 -47.27 12.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 6.8 m80 -53.1 -49.02 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 69' ' ' ARG . 6.5 ppt_? -65.82 -23.23 66.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -79.5 -49.64 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -41.31 -50.58 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.41 -47.97 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.58 -66.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.51 -48.57 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -59.47 -53.37 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.3 mt -44.92 -49.09 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -64.43 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.6 mt -94.61 43.84 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' LEU . 24.6 mt-10 36.8 43.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -119.53 42.55 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.9 m-85 -56.27 -39.12 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -56.76 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -72.29 -31.7 65.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -57.37 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 10.3 tm-20 -39.75 -53.27 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.5 m -54.13 -67.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -36.77 -40.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . -56.91 -50.65 71.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -64.03 -34.16 77.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -79.52 -44.48 21.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.428 HG13 ' HB3' ' A' ' 101' ' ' ALA . 33.7 mt -59.58 -45.77 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.49 -37.05 86.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -59.18 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -81.09 -56.82 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 87.2 24.15 38.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.12 25.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -111.1 132.56 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.913 ' HA ' HD12 ' A' ' 102' ' ' LEU . 11.1 m -91.12 -27.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -42.94 -48.06 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB3' HG13 ' A' ' 92' ' ' ILE . . . -68.27 -49.78 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 99' ' ' VAL . 13.8 mt -44.41 -56.01 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -56.6 -39.72 74.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -63.42 -45.76 89.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -51.77 -54.43 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 p -47.75 -48.65 29.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -51.12 -32.22 21.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.43 -42.62 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.3 mt -53.92 -47.54 71.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.52 -57.69 11.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -53.5 -43.2 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.39 -23.59 66.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.81 -5.98 18.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -89.19 82.76 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.6 mt -75.98 -53.17 8.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.25 -45.17 23.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.743 ' HA ' HD12 ' A' ' 120' ' ' LEU . 14.5 mm-40 -63.46 -53.2 55.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLN . . . -35.55 -46.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.517 HG13 HD11 ' A' ' 139' ' ' LEU . 39.2 t -62.77 -42.7 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 117' ' ' GLN . 24.0 mt -59.89 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.48 -34.33 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 124' ' ' ARG . 32.1 mt -73.14 -43.87 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -43.67 -23.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 122' ' ' LEU . 68.0 mtt-85 -84.2 -56.62 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 29.7 p -51.17 -21.3 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.2 t -84.15 -30.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.4 t -77.01 -40.5 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.492 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -68.48 -27.79 66.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 64.2 mm-40 -133.31 96.62 17.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.9 Cg_endo -69.77 -33.16 17.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -76.04 -42.62 47.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.52 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.6 m120 -51.39 102.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 136' ' ' GLN . 32.9 mttp -79.12 -38.56 35.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 73.8 t -42.61 -27.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 21.9 m-85 -83.68 -35.72 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' LYS . 30.7 mt-30 -75.22 -33.27 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.492 ' OE2' ' HB2' ' A' ' 138' ' ' ALA . 0.3 OUTLIER -71.56 -34.67 70.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.492 ' HB2' ' OE2' ' A' ' 137' ' ' GLU . . . -73.7 -26.58 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.517 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -70.17 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -70.28 -24.51 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 137' ' ' GLU . 44.2 m-20 -65.36 -38.66 90.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLN . 49.2 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.009 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.4 p -42.46 -37.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 17.4 tt0 -71.12 -38.35 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.9 tp60 -81.18 -68.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -40.74 -29.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' NH1' ' O ' ' A' ' 29' ' ' GLU . 3.1 ttp-105 -38.32 -50.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -50.89 -42.32 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.6 tp10 -46.76 -48.81 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.95 -60.8 8.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 39' ' ' PHE . 64.5 m-80 -53.76 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' ASN . 17.7 mt-10 -37.77 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.453 HD13 ' C ' ' A' ' 46' ' ' GLY . 40.3 mt -84.02 -38.43 20.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' ASN . 33.0 t80 -65.92 -53.18 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.23 -11.89 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 t -105.48 -21.44 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' TYR . . . 117.36 -38.31 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.88 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' GLY . 29.3 m-85 -82.42 -46.5 13.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.19 -36.47 15.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.453 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -88.26 -51.69 3.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.31 -50.31 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.679 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.1 tm? -57.39 -52.52 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.21 -54.19 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.51 -51.24 49.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -54.42 -41.39 69.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -56.67 -43.25 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -61.65 -58.51 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.009 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -44.63 -51.42 9.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.6 mt -61.03 -29.13 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.1 33.79 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' ALA . 58.4 mt -145.32 144.51 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.96 82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -108.93 164.45 12.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.47 158.54 20.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -86.93 -21.1 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 67' ' ' LEU . 1.2 m-20 -92.22 -32.36 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 43.0 mt-30 -61.23 -29.18 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -79.59 -66.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 10.0 p -36.94 -32.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 63' ' ' ASP . 11.0 mt -71.68 -45.44 61.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ALA . 20.9 m-70 -56.04 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 66' ' ' VAL . 21.7 ptt85 -51.38 -23.75 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 59.1 m-20 -81.11 -51.16 8.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.636 ' HE ' HD21 ' A' ' 48' ' ' LEU . 64.5 mtp180 -45.47 -52.11 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.82 -47.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -48.45 -62.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.9 m -46.5 -54.69 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.596 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 46.7 m-70 -51.22 -58.46 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.791 HD21 ' HB2' ' A' ' 108' ' ' ALA . 14.3 mt -45.79 -42.63 12.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -69.35 -44.66 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.6 mt -79.91 44.22 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.4 tt0 36.47 36.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -117.0 45.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.464 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 23.6 m-85 -60.66 -34.98 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.63 -63.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -72.37 -41.64 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . . . -41.86 -52.07 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.445 ' OE1' ' CD1' ' A' ' 112' ' ' LEU . 4.9 tt0 -48.05 -60.12 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.8 m -45.31 -52.62 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -43.73 -65.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' SER . . . -41.58 -61.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.431 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . 1.6 t -37.01 -51.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -56.36 -51.81 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.59 -54.7 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.88 -24.62 20.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.49 -33.04 19.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 20.9 mmtt -52.51 -45.53 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -112.6 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.74 -39.61 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.42 42.64 1.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.45 92.6 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.932 HG13 HD22 ' A' ' 128' ' ' LEU . 3.7 m -76.73 -15.21 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -63.45 -47.4 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.63 -30.69 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.894 HD12 ' HA ' ' A' ' 99' ' ' VAL . 37.2 mt -59.44 -51.23 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.63 -40.25 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -75.35 -31.21 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 85' ' ' GLU . 10.3 ttm-85 -58.47 -49.0 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -53.08 -46.37 68.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -48.16 -47.65 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.791 ' HB2' HD21 ' A' ' 76' ' ' LEU . . . -67.93 -53.6 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.669 HD23 ' HD3' ' A' ' 114' ' ' ARG . 12.0 mt -46.8 -46.17 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -50.95 -55.21 18.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 5.9 tptm -51.12 -27.15 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.445 ' CD1' ' OE1' ' A' ' 85' ' ' GLU . 31.4 mt -94.31 28.66 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 52.88 15.2 3.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.669 ' HD3' HD23 ' A' ' 109' ' ' LEU . 27.0 mtp85 -91.53 48.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -60.56 -34.34 74.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -32.01 71.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.484 ' HA ' HD12 ' A' ' 120' ' ' LEU . 6.8 mp0 -83.67 -44.63 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.526 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -41.08 -42.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.494 HG13 HD11 ' A' ' 139' ' ' LEU . 77.6 t -66.62 -43.3 90.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 117' ' ' GLN . 13.9 mt -64.47 -36.36 83.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.02 -20.94 51.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 124' ' ' ARG . 21.9 mt -84.28 -52.72 6.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -38.64 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 122' ' ' LEU . 81.3 mtt180 -73.18 -56.3 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.9 p -53.78 -20.26 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.7 t -81.24 -38.52 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.9 t -61.61 -60.34 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.932 HD22 HG13 ' A' ' 99' ' ' VAL . 2.1 mp -48.87 -46.12 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.43 ' HB3' ' CG ' ' A' ' 132' ' ' ASN . 5.6 mm-40 -111.57 94.51 23.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.86 32.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' LYS . 40.8 mmtm -90.55 -46.57 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.43 ' CG ' ' HB3' ' A' ' 129' ' ' GLU . 4.8 m-20 -39.73 96.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -75.58 -21.42 57.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.6 -29.73 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -81.62 -55.25 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -50.35 -35.33 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -31.43 56.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.67 -27.14 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.494 HD11 HG13 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -71.67 -49.67 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -69.58 -17.05 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.17 -37.49 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 118' ' ' ALA . 10.7 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLN . 60.0 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.954 0.407 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.054 HG23 ' HB1' ' A' ' 54' ' ' ALA . 7.2 p -38.58 -33.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.57 -41.79 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.6 tp-100 -88.67 -63.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.635 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -39.86 -35.65 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' LEU . 23.1 ttt85 -34.5 -48.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -47.88 64.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.5 tp10 -40.67 -39.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.88 -61.34 5.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' PHE . 11.5 m-20 -55.97 -56.35 21.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -39.2 -44.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.64 -34.32 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 36' ' ' ASN . 23.9 t80 -67.43 -53.31 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -58.11 -11.59 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.73 -26.55 12.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.27 -38.15 2.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.86 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.28 -52.97 6.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -34.01 5.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -84.85 -55.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.1 -49.23 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.594 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.1 tm? -57.19 -57.72 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.15 -52.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.94 -51.06 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -54.14 -42.98 70.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.7 m -50.13 -55.14 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.97 -59.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.054 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -46.78 -50.28 18.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.653 HD12 ' HD2' ' A' ' 71' ' ' ARG . 14.8 mt -62.67 -40.47 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.73 -45.62 68.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.499 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.0 163.53 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.53 41.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.742 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -53.08 167.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -53.75 157.21 4.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.67 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.16 32.23 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.65 2.234 . . . . 0.0 112.311 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -92.57 -32.69 14.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -80.98 -25.6 37.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.537 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 32.7 mt-30 -64.76 -31.5 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -75.8 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 67' ' ' LEU . 7.3 p -42.39 -44.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' N ' HG13 ' A' ' 66' ' ' VAL . 18.8 mt -63.29 -39.45 94.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 33.1 m-70 -61.02 -61.36 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -54.25 -30.64 51.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -69.96 -47.35 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.653 ' HD2' HD12 ' A' ' 55' ' ' LEU . 33.1 mtp180 -48.97 -49.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -34.74 -44.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.1 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.3 m -42.76 -48.63 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.47 ' CE1' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-70 -66.65 -51.9 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 81' ' ' TYR . 39.0 mt -46.7 -41.67 15.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -73.99 -39.36 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 79' ' ' GLU . 11.3 mt -84.53 44.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tt0 35.72 46.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.412 ' OD2' ' ND1' ' A' ' 75' ' ' HIS . 35.6 t0 -127.91 37.73 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 111' ' ' LYS . 31.2 m-85 -44.81 -47.79 10.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -34.97 -63.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 14.0 mtpp -57.57 -44.7 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 81' ' ' TYR . . . -46.3 -57.83 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -38.65 -50.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.402 HG22 ' HE2' ' A' ' 90' ' ' LYS . 20.4 m -60.64 -64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -43.29 -25.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 105' ' ' ARG . . . -82.9 -46.5 12.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.0 t -65.25 -21.17 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HE2' HG22 ' A' ' 86' ' ' THR . 0.5 OUTLIER -89.2 -40.63 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.18 -57.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -52.9 -34.85 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 13.6 mmtp -56.65 -40.19 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -103.26 -64.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.78 -54.9 0.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -118.07 55.45 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.98 91.49 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.723 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.6 m -59.0 -41.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 99' ' ' VAL . 19.5 mttp -34.61 -48.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.01 75.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 99' ' ' VAL . 13.5 mt -50.13 -55.47 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -50.25 -44.5 53.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -64.47 -48.91 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 61.6 ttt180 -51.63 -52.11 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.532 ' HA ' HD12 ' A' ' 109' ' ' LEU . 55.0 p -47.19 -48.52 23.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.4 -39.86 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.78 -44.19 61.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 106' ' ' SER . 72.7 mt -53.97 -57.79 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.03 -38.76 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 11.0 mmtm -71.96 -49.63 35.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.3 -27.5 65.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.36 38.15 2.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -119.44 42.06 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.6 mt -42.46 -45.1 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -52.12 -41.66 62.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 120' ' ' LEU . 13.1 mm-40 -77.63 -42.64 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.23 -36.26 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.682 HG13 HD11 ' A' ' 139' ' ' LEU . 44.2 t -72.29 -38.95 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 117' ' ' GLN . 16.8 mt -67.41 -41.47 84.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.53 -41.42 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 142' ' ' ILE . 37.3 mt -71.92 -46.33 58.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -42.46 -39.79 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' SER . 33.7 mtt180 -65.44 -51.02 63.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 89.0 m -39.99 -40.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.66 -39.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 124' ' ' ARG . 23.3 t -62.5 -56.63 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.491 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 12.5 mt -63.22 -38.31 90.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -121.33 92.23 48.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.03 24.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 18.7 pttm -78.98 -45.07 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.581 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 5.5 m120 -47.6 104.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -83.16 -35.72 25.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 135' ' ' PHE . 16.6 m -46.39 -23.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.4 m-85 -83.42 -40.78 18.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -68.8 -32.8 72.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -35.32 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.89 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.682 HD11 HG13 ' A' ' 119' ' ' VAL . 23.9 tp -68.22 -66.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 139' ' ' LEU . 13.3 ptt180 -34.88 -36.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 139' ' ' LEU . 69.4 m-20 -57.0 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.584 HG13 HG22 ' A' ' 119' ' ' VAL . 8.2 pt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.0 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.923 0.392 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.976 HG23 ' HB1' ' A' ' 54' ' ' ALA . 7.3 p -38.3 -37.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 1.9 pp20? -70.78 -46.63 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' LEU . 5.6 tt0 -83.05 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -36.43 -34.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.697 HH21 HG22 ' A' ' 28' ' ' VAL . 5.9 ttm180 -34.13 -53.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 1.2 mppt? -48.88 -44.6 40.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.663 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 10.2 tt0 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.42 -60.46 4.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -52.94 -56.23 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 40' ' ' LYS . 32.5 mt-10 -41.06 -48.92 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.5 mt -68.88 -39.12 79.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.41 -56.62 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 37' ' ' GLU . 12.7 pttm -64.69 -5.69 6.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.3 t -104.62 -11.74 16.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -17.37 56.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.8 87.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -79.39 -48.09 14.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.39 6.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.03 -38.93 5.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.2 -38.51 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD21 ' HE ' ' A' ' 71' ' ' ARG . 2.5 tm? -66.76 -40.05 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.31 76.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.663 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -57.96 -48.65 79.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB3' ' CD ' ' A' ' 71' ' ' ARG . 17.3 m-85 -54.78 -40.86 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -56.27 -50.94 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.8 mt-30 -53.33 -59.5 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.976 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -37.14 -54.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.16 -37.44 87.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -55.5 -36.55 64.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 28' ' ' VAL . 61.1 mt -78.97 146.92 33.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.09 79.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -94.94 160.71 14.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p -45.75 157.95 0.36 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.85 31.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -94.16 -27.61 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 66' ' ' VAL . 26.6 m-20 -79.7 -36.3 37.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.461 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 19.8 mt-30 -54.58 -31.18 56.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -75.71 -70.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 63' ' ' ASP . 11.6 p -36.9 -29.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ALA . 54.1 mt -77.13 -45.18 27.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.655 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 43.0 m-70 -53.2 -57.54 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -52.55 -27.89 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -78.63 -49.44 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.467 ' HE ' HD21 ' A' ' 48' ' ' LEU . 32.2 mmm-85 -49.03 -47.11 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -48.01 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.07 -67.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.32 -52.38 4.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.522 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 6.3 m-70 -53.67 -65.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 81' ' ' TYR . 10.5 mt -40.63 -33.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.11 -39.47 25.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' HIS . 9.6 mt -89.31 46.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.6 mp0 37.18 54.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -132.48 33.54 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.591 ' HD2' HD23 ' A' ' 76' ' ' LEU . 15.1 m-85 -47.2 -46.93 24.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' TYR . 5.2 m-20 -37.12 -62.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.522 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 20.4 mtpp -63.78 -49.23 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.457 ' CB ' ' HG ' ' A' ' 76' ' ' LEU . . . -42.14 -52.51 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' OE2' ' NH1' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -43.68 -47.78 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.0 m -72.33 -34.12 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 16.2 mt-10 -64.93 -27.4 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.28 -45.81 12.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -64.74 -17.08 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.502 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 18.0 ptpt -92.09 -31.77 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.655 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -75.94 -25.9 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.4 mt -75.69 -56.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -50.2 -35.72 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -66.79 -57.26 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -72.84 -66.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.53 26.89 23.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.66 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -119.28 89.38 3.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.704 ' HA ' HD12 ' A' ' 102' ' ' LEU . 17.6 m -56.55 -35.09 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.14 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -51.1 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 99' ' ' VAL . 18.9 mt -40.0 -50.6 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.56 -44.64 93.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt-85 -60.97 -38.47 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.428 ' NH1' ' OE2' ' A' ' 85' ' ' GLU . 19.7 ttt85 -60.63 -56.83 16.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.4 p -44.77 -47.69 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.05 -42.31 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -73.58 -57.36 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' ALA . 86.9 mt -36.89 -50.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.471 ' HA ' HD23 ' A' ' 115' ' ' LEU . 10.6 mt-10 -55.09 -47.27 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 2.6 mptp? -67.36 -25.26 65.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.2 mt -85.52 6.27 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.25 -1.58 84.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -93.79 83.35 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 110' ' ' GLU . 54.0 mt -83.27 -39.21 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.3 87.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.29 -51.86 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.588 ' O ' HD12 ' A' ' 122' ' ' LEU . . . -39.66 -42.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.404 ' CG2' HD11 ' A' ' 142' ' ' ILE . 43.4 t -65.61 -50.8 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.71 -61.55 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.78 -31.55 11.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 118' ' ' ALA . 20.3 mt -74.98 -49.37 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -38.86 -26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 122' ' ' LEU . 51.4 mtt-85 -77.74 -54.8 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.2 p -47.8 -22.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -81.16 -40.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 t -60.04 -56.61 19.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.493 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.1 mt -58.08 -39.83 79.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -117.86 85.93 23.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.49 33.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -83.28 -59.16 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.542 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.7 t-20 -34.45 120.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -25.52 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.463 ' HA ' ' CG ' ' A' ' 137' ' ' GLU . 77.0 t -55.12 -26.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 22.7 m-85 -78.49 -50.14 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.32 -40.78 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 134' ' ' VAL . 1.0 OUTLIER -65.97 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.62 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -57.39 -50.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -69.5 -19.14 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -73.63 -19.99 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.404 HD11 ' CG2' ' A' ' 119' ' ' VAL . 14.3 pt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.005 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.6 p -38.95 -39.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.3 -51.58 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -66.43 -70.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -39.16 -35.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' LEU . 6.5 ttp85 -35.17 -50.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -47.77 -49.01 29.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.479 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 6.3 tt0 -43.8 -44.58 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.05 -63.46 5.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' C ' ' HE2' ' A' ' 40' ' ' LYS . 55.6 m-80 -57.32 -56.84 16.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 86.3 mt-10 -44.76 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -74.46 -31.76 62.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.9 t80 -71.92 -49.64 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 1.1 ptpm? -62.61 -7.6 5.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.9 t -107.25 -17.49 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.77 -36.31 4.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.26 92.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -81.94 -53.21 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.9 -27.26 4.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.99 -55.57 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.32 -39.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.603 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.3 tm? -68.11 -48.96 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.91 -47.82 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -54.04 -50.39 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -54.82 -36.34 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.8 m -57.18 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -49.74 -56.43 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.005 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -45.1 -55.66 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.0 mt -56.93 -37.14 71.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.92 -46.1 84.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 28' ' ' VAL . 82.2 mt -67.17 152.68 45.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.67 75.74 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.458 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -88.59 164.81 15.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.79 159.12 1.41 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -11.92 31.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -94.23 -25.53 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.15 -28.39 25.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.47 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 22.2 mt-30 -63.74 -31.35 72.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -76.14 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 8.3 p -39.54 -35.71 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.5 mt -74.0 -37.82 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ALA . 32.4 m-70 -60.5 -57.71 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 2.4 ptt-85 -56.98 -23.76 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.429 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 93.2 m-20 -75.13 -49.1 20.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.603 ' HE ' HD21 ' A' ' 48' ' ' LEU . 28.5 mtp180 -43.44 -55.6 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.37 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -48.68 -57.42 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.0 m -54.12 -49.61 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 62.1 m-70 -54.27 -52.67 60.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 81' ' ' TYR . 78.0 mt -46.96 -46.56 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -68.76 -31.23 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 13.1 mt -95.84 40.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 10.9 tt0 36.4 42.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 83.8 m-20 -114.52 31.53 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.621 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 51.1 m-85 -42.1 -52.21 4.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' TYR . 3.4 m-20 -34.36 -57.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.8 -49.92 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.21 -50.91 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.37 -55.93 13.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -56.75 -45.16 82.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.03 -57.13 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 91' ' ' ALA . . . -45.14 -57.71 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 92' ' ' ILE . 29.7 t -43.44 -47.79 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -59.66 -32.96 70.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 88' ' ' ALA . . . -73.52 -18.31 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 89' ' ' SER . 64.3 mt -87.38 -54.39 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.7 -25.11 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -55.69 -60.02 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.42 -52.95 3.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.35 -48.43 0.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.47 55.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.31 102.76 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 12.1 m -70.96 -37.81 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -33.91 -41.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.54 -42.54 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 99' ' ' VAL . 10.3 mt -54.04 -46.55 71.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.36 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -67.67 -31.46 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -69.26 -53.91 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 p -47.8 -22.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -71.9 -49.5 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.39 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.95 -56.65 19.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.519 ' HA ' HD23 ' A' ' 115' ' ' LEU . 25.9 mt-10 -53.97 -39.37 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.621 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -56.01 -43.11 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.6 mt -79.29 8.02 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.39 -23.55 31.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -64.4 78.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 110' ' ' GLU . 60.0 mt -81.7 -41.45 21.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.97 -43.8 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.621 ' HA ' HD12 ' A' ' 120' ' ' LEU . 23.5 mp0 -61.72 -53.7 52.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.444 ' HB2' ' HG3' ' A' ' 110' ' ' GLU . . . -41.4 -44.41 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.46 -55.04 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 117' ' ' GLN . 9.0 mt -51.62 -60.08 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.55 -43.88 35.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.59 -48.51 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -40.3 -35.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -66.67 -50.24 63.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 56.2 m -45.93 -49.41 15.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.89 -24.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -81.01 -44.57 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.497 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -77.55 -25.77 50.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -129.62 87.84 51.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.14 34.24 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -93.95 -46.44 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.516 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 8.6 m120 -50.15 98.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -73.63 -33.25 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 135' ' ' PHE . 34.5 m -47.75 -26.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.516 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 17.4 m-85 -79.01 -48.06 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.86 -32.02 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.26 -37.67 32.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.2 -24.36 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.433 ' O ' HD13 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -71.44 -53.96 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -69.43 -22.88 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -61.67 -38.54 88.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.647 HG23 ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -48.97 -50.38 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -45.6 -45.76 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -73.01 -72.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -37.23 -37.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -35.96 -43.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -58.15 -46.05 86.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 12.8 tt0 -43.51 -44.93 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.94 -61.78 6.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' PHE . 91.3 m-20 -55.35 -54.98 36.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.33 -39.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.87 -30.83 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -65.82 -50.32 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -59.4 -10.42 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.6 t -103.21 -25.96 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.46 -34.1 4.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -49.65 94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -79.03 -44.77 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.62 -37.83 34.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -83.66 -58.86 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.23 -49.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.651 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.2 tm? -57.74 -54.58 45.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.73 -55.57 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -48.99 -50.58 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 20.5 m-85 -55.2 -42.79 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -48.46 -56.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -53.81 -53.98 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -42.16 -58.06 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.23 -42.56 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.36 -48.07 49.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.1 mt -65.85 151.98 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.31 78.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.94 21.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.08 159.99 12.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.11 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.48 14.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -94.95 -38.95 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -34.06 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -48.88 -54.31 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.66 -57.43 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.3 t -48.49 -44.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.89 -50.98 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.645 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . 40.0 m-70 -55.58 -60.23 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -46.21 -33.36 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 15.4 m-80 -76.39 -43.86 38.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.651 ' HE ' HD21 ' A' ' 48' ' ' LEU . 35.1 mtp180 -51.29 -60.19 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -37.86 -40.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -50.08 -58.78 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.8 m -48.99 -46.57 44.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -58.98 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.6 mt -40.96 -43.24 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -67.67 -44.6 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.61 40.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 42.75 43.53 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -119.64 39.68 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 45.9 m-85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.543 ' HA ' HD11 ' A' ' 112' ' ' LEU . 0.8 OUTLIER -35.93 -60.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mttp -63.97 -51.85 62.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -33.97 -62.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -38.66 -61.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.2 m -58.94 -51.39 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.63 -56.71 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.12 -51.9 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -41.69 -37.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ILE . 41.6 mttt -68.06 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 68' ' ' HIS . . . -43.75 -22.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' LYS . 71.0 mt -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 94' ' ' LYS . 4.2 pt-20 -42.0 -48.31 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 93' ' ' GLU . 0.5 OUTLIER -44.42 -72.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.08 -68.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.42 -36.79 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.02 52.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -109.32 94.43 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 22.6 m -61.4 -32.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.0 -55.58 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.64 91.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 99' ' ' VAL . 4.1 mt -48.44 -60.1 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -43.38 -42.78 4.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -69.98 -43.95 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -47.96 -59.89 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' ' 109' ' ' LEU . 80.8 p -45.15 -49.82 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -45.13 -41.76 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.07 45.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 106' ' ' SER . 19.2 mt -51.15 -55.45 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.513 ' HA ' HD23 ' A' ' 115' ' ' LEU . 11.3 mt-10 -45.6 -43.89 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.554 ' HG3' ' CD2' ' A' ' 81' ' ' TYR . 15.4 mmtm -64.51 -34.58 78.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 82' ' ' ASP . 72.9 mt -87.58 27.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.74 33.12 59.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.4 ' HD2' HD23 ' A' ' 109' ' ' LEU . 83.4 mtt-85 -114.04 47.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 110' ' ' GLU . 28.4 mt -58.67 -39.8 81.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -53.1 -39.78 63.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.466 ' HA ' HD12 ' A' ' 120' ' ' LEU . 24.4 mp0 -81.42 -41.53 21.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.64 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.402 ' HA ' HD11 ' A' ' 142' ' ' ILE . 95.4 t -55.83 -53.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 117' ' ' GLN . 10.4 mt -52.29 -47.81 65.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.484 ' OD2' HD11 ' A' ' 109' ' ' LEU . 6.5 m-20 -59.02 -46.06 89.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 123' ' ' GLN . 29.7 mt -62.75 -46.89 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 122' ' ' LEU . 29.6 mt-30 -36.28 -48.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -56.11 -47.98 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 69.6 m -42.39 -51.4 4.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.15 -33.85 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.5 t -65.63 -60.16 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.486 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 7.1 mt -65.9 -33.05 74.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 23.4 mm-40 -123.45 93.75 47.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 54.0 Cg_endo -69.75 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 132' ' ' ASN . 6.7 mtpm? -59.43 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.595 ' OD1' ' CZ ' ' A' ' 135' ' ' PHE . 1.6 t-20 -33.4 116.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 135' ' ' PHE . 2.4 mppt? -92.08 -47.12 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.528 HG23 ' CD1' ' A' ' 135' ' ' PHE . 30.6 m -35.26 -31.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.595 ' CZ ' ' OD1' ' A' ' 132' ' ' ASN . 15.7 m-30 -72.47 -51.37 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 133' ' ' LYS . 35.5 mt-30 -52.5 -47.63 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -65.98 -31.26 72.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.61 60.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.91 -57.69 6.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -65.21 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -55.76 -37.34 68.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.402 HD11 ' HA ' ' A' ' 119' ' ' VAL . 30.2 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.5 p -41.68 -38.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.46 -41.48 97.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ARG . 3.1 tp-100 -85.81 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLN . 11.8 ttp180 -41.36 -59.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -46.04 -31.58 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 tp10 -49.68 -56.37 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.47 -28.15 52.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.01 -42.99 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 36.9 mt-10 -69.16 -37.09 78.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -87.33 -49.87 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 pttp -63.34 -8.84 9.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 m -106.4 -22.45 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.76 -33.65 4.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.1 94.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.528 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 18.8 m-85 -84.46 -41.09 16.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.26 -32.58 21.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -90.78 -58.69 1.48 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.24 -43.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 71' ' ' ARG . 2.4 tm? -58.27 -47.92 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.41 -47.11 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.99 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -56.35 -44.86 80.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -50.87 -49.06 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.2 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -47.28 -57.15 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.72 -45.01 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.2 -37.91 11.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.9 mt -76.05 159.84 30.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -77.9 48.77 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.646 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -59.79 148.83 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.63 159.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 111.164 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -18.24 37.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -83.28 -27.73 29.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.33 -36.9 24.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -53.14 -49.44 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -49.09 -40.45 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -63.88 -51.41 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 54' ' ' ALA . 7.0 mt -62.05 -24.56 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.681 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 22.2 m-70 -72.67 -48.96 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.67 -26.72 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -80.78 -54.9 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.486 ' CZ ' HD21 ' A' ' 48' ' ' LEU . 1.4 mmm180 -41.02 -46.86 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.75 -40.21 66.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -60.89 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -38.15 -46.12 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' LEU . 8.5 m-70 -62.78 -61.05 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 81' ' ' TYR . 91.6 mt -41.05 -43.04 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 13.4 mptt -71.88 -34.37 69.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' HIS . 18.3 mt -92.64 37.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 45.27 42.61 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.407 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 29.3 m-20 -119.54 39.33 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.449 ' HA ' HD23 ' A' ' 76' ' ' LEU . 25.5 m-85 -51.8 -41.41 61.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.686 ' HA ' HD21 ' A' ' 112' ' ' LEU . 1.1 m-20 -42.69 -63.25 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' ALA . 34.3 mttp -61.46 -50.9 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.81 -55.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -40.26 -49.15 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -64.23 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.6 mm-40 -41.59 -56.08 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -36.89 -59.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 p -49.02 -56.45 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -45.43 -32.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.681 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -73.91 -34.83 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.85 -57.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 12.9 pt-20 -46.8 -47.94 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 22.7 mmtm -40.91 -62.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 5.6 m-20 -90.5 -69.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.93 -49.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.507 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.81 54.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.81 95.61 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 20.9 m -67.33 -15.16 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -51.92 -44.96 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.23 -31.47 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 121' ' ' ASP . 11.1 mt -62.0 -44.98 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.08 -49.07 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -64.25 -24.96 67.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -65.82 -60.97 2.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' ' 109' ' ' LEU . 70.3 p -45.35 -45.86 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.81 -38.62 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.47 -53.55 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 106' ' ' SER . 27.0 mt -46.28 -45.65 17.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -58.3 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -73.88 -22.67 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 82' ' ' ASP . 65.3 mt -83.71 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.42 -1.2 60.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -97.01 95.44 7.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.3 mt -88.36 -38.56 15.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.73 -50.24 72.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.415 ' H ' ' NE2' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -59.5 -50.12 75.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -41.99 -42.31 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.622 HG22 HG13 ' A' ' 142' ' ' ILE . 75.8 t -63.18 -60.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.9 mt -50.87 -45.21 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.475 ' OD2' HD11 ' A' ' 109' ' ' LEU . 2.1 m-20 -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.61 ' HB2' HD13 ' A' ' 139' ' ' LEU . 22.0 mt -64.87 -35.14 80.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -45.54 -56.95 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -56.71 -36.71 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.12 -34.94 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' A' ' 135' ' ' PHE . 80.9 t -90.32 -43.28 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 t -51.51 -29.94 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.507 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -91.14 -29.33 17.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -122.99 87.14 50.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -1.73 8.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -109.13 -39.53 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.643 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 1.8 m-20 -59.06 99.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 134' ' ' VAL . 15.5 pttt -78.04 -28.42 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 90.4 t -46.66 -29.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.643 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 7.6 m-85 -78.4 -45.28 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -58.11 -42.92 86.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.27 -34.32 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.05 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.61 HD13 ' HB2' ' A' ' 122' ' ' LEU . 16.1 tp -74.99 -42.17 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -62.49 -13.1 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -81.55 -54.66 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.622 HG13 HG22 ' A' ' 119' ' ' VAL . 7.5 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' GLU . 19.8 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.924 0.392 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.026 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.9 p -40.06 -25.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' SER . 15.2 tt0 -81.49 -45.22 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.6 tp-100 -84.94 -65.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -41.4 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -40.37 -55.17 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -47.09 -44.68 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -41.84 -41.82 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -65.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -49.23 -47.99 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -49.62 -38.65 32.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.55 -19.19 53.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -79.48 -48.36 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.61 -9.55 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 t -106.03 -18.93 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 112.74 -35.62 4.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.49 96.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 19.6 m-85 -80.35 -48.64 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.93 -33.39 20.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.22 -59.63 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.79 -36.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.53 -47.05 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.89 -40.8 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.31 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 22.8 m-85 -54.08 -30.7 49.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -61.16 -57.58 11.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -52.93 -55.13 25.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.026 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -41.61 -57.11 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.51 -41.69 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.8 14.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.444 HD12 ' H ' ' A' ' 28' ' ' VAL . 71.2 mt -78.23 147.21 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.89 86.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -103.54 163.16 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 160.54 68.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.625 0.726 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.43 30.79 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.36 -27.6 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.87 -45.93 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.838 ' HA ' HD12 ' A' ' 67' ' ' LEU . 45.6 mt-30 -45.12 -60.87 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.779 ' HB2' ' CB ' ' A' ' 94' ' ' LYS . . . -39.01 -45.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 66' ' ' VAL . 2.8 t -61.49 -37.04 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.08 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 64' ' ' GLN . 4.9 mt -75.1 -50.21 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.406 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 18.8 m-70 -49.33 -49.28 44.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' O ' ' CZ ' ' A' ' 104' ' ' ARG . 7.7 ptm180 -66.08 -27.16 67.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 8.0 m-20 -74.23 -32.68 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -70.5 -40.78 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.02 -29.75 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB2' ' HE ' ' A' ' 104' ' ' ARG . . . -66.13 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.7 m -44.3 -55.58 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' LEU . 59.0 m-70 -44.53 -61.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -41.49 -35.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -81.02 -32.19 34.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' HIS . 10.6 mt -95.32 42.65 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 42.04 46.46 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.459 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 27.8 m-20 -124.02 37.81 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 111' ' ' LYS . 9.7 m-85 -53.71 -39.92 65.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.18 -59.07 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -64.79 -43.78 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.61 -44.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.15 -57.43 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.3 m -53.79 -57.61 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -42.89 -58.3 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.553 ' HA ' HD12 ' A' ' 92' ' ' ILE . 4.0 m -56.07 -44.95 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.28 -21.34 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -91.86 -8.05 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 89' ' ' SER . 55.0 mt -91.92 -43.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 13.0 pt-20 -52.84 -52.5 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.779 ' CB ' ' HB2' ' A' ' 65' ' ' ALA . 1.1 mptp? -37.21 -71.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 95' ' ' ASP . 27.4 t0 -77.84 -61.65 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.05 -49.0 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.49 49.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -99.43 119.58 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.4 m -85.77 -26.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -51.7 -42.68 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.75 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 99' ' ' VAL . 9.8 mt -53.2 -57.96 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -46.62 -35.72 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HE ' ' HB2' ' A' ' 73' ' ' ALA . 11.2 mtt85 -71.11 -45.13 64.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -50.33 -52.86 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' GLN . 79.5 p -45.2 -50.17 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' SER . 25.0 mt-30 -38.06 -52.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -66.09 -55.99 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.622 HD23 ' CD ' ' A' ' 114' ' ' ARG . 80.2 mt -39.91 -52.4 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 14.9 mm-40 -61.33 -31.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.591 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -73.15 -38.7 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.28 3.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 115' ' ' LEU . . . 92.67 -46.9 2.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.622 ' CD ' HD23 ' A' ' 109' ' ' LEU . 2.3 ptp180 -44.97 90.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' GLY . 6.9 mt -91.77 -40.33 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.6 -29.11 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 117' ' ' GLN . 7.3 mp0 -81.87 -48.41 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.53 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -42.33 -43.88 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.78 -44.19 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.59 -27.21 68.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.61 -47.49 12.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' CYS . 32.5 mt -63.69 -52.23 61.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LEU . 74.3 mt-30 -37.68 -28.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 122' ' ' LEU . 14.8 mtt-85 -75.64 -44.93 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 122' ' ' LEU . 77.1 m -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.81 -39.99 87.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.5 t -66.32 -45.65 79.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -72.82 -30.92 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.69 87.44 55.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -9.81 27.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -100.58 -52.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -44.66 96.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -71.6 -20.01 62.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.705 HG23 ' CD1' ' A' ' 135' ' ' PHE . 12.8 m -59.21 -21.89 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.705 ' CD1' HG23 ' A' ' 134' ' ' VAL . 12.2 m-85 -88.78 -46.23 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.16 -26.41 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -85.71 -34.08 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.42 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -58.59 3.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -64.65 -10.13 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -82.02 -17.31 47.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.53 HD12 ' HB3' ' A' ' 118' ' ' ALA . 3.5 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.948 0.404 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.4 p -41.39 -35.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.82 -49.28 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' LEU . 1.4 tm0? -81.78 -68.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -34.33 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.1 ttp85 -36.8 -51.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -52.75 -46.99 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -40.58 -39.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.99 -59.94 5.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 39' ' ' PHE . 7.6 m-80 -55.52 -57.01 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -39.47 -37.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 mt -81.28 -32.72 33.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' ASN . 32.6 t80 -68.62 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -6.07 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.5 m -104.89 -21.83 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.77 -34.46 4.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.52 98.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 21.1 m-85 -86.66 -46.82 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 -35.23 7.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.24 -54.99 2.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.94 -54.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.4 tm? -49.85 -57.57 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.51 -52.12 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.79 -46.31 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.15 -46.14 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -45.98 -56.52 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.67 -62.78 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -38.22 -42.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.91 -43.72 57.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.3 -38.36 12.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.05 157.11 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -78.96 45.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB3' ' OE1' ' A' ' 64' ' ' GLN . . . -57.53 169.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -59.72 157.22 29.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -3.96 13.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -94.9 -27.83 15.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.507 ' O ' HG12 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -82.09 -46.31 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.7 ' OE1' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -49.45 -24.56 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -78.76 -63.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 63' ' ' ASP . 10.7 p -49.29 -32.59 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.99 -47.52 36.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -51.22 -52.74 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.2 ptp180 -57.82 -43.44 85.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 6.7 m-20 -58.31 -52.84 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ALA . 35.1 mtm180 -41.5 -51.05 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -37.17 -49.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.27 -53.96 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.6 m -44.01 -48.92 8.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 20.3 m-70 -65.86 -56.5 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.7 mt -40.65 -43.9 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 2.4 mptm? -68.57 -46.36 69.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.46 41.99 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 38.82 47.83 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.449 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 17.0 m-20 -120.2 37.26 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 59.9 m-85 -47.56 -49.7 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -39.59 -63.49 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -66.36 -44.21 83.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.54 -54.23 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.11 -51.56 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.4 m -52.54 -56.39 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -45.73 -48.76 15.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.97 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.7 p -51.47 -46.46 63.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -50.15 -39.62 44.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.93 59.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.42 -40.17 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 5.3 pt-20 -69.15 -35.15 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 39.6 mmtt -53.6 -60.81 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -96.99 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.67 -48.43 0.95 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.05 56.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.02 85.52 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.821 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.722 HG21 ' HG3' ' A' ' 129' ' ' GLU . 28.1 m -63.54 -29.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -47.31 -55.71 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.8 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 99' ' ' VAL . 6.0 mt -52.98 -46.76 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.87 -43.27 90.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' ARG . 13.5 mtp85 -66.45 -51.27 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' ARG . 43.4 ttt180 -38.07 -59.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -41.28 -44.88 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -43.46 -41.3 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.04 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.5 mt -42.92 -61.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -51.09 -47.62 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 11.0 tptt -53.85 -38.21 64.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.68 28.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.28 30.58 55.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -106.38 48.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -56.11 -33.12 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -64.7 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.782 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.0 mp0 -80.41 -45.36 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.46 -46.83 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.51 HG13 HD11 ' A' ' 139' ' ' LEU . 45.3 t -62.52 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.4 mt -46.23 -44.56 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.32 -54.92 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 124' ' ' ARG . 33.0 mt -55.7 -44.23 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 122' ' ' LEU . 32.2 mt-30 -37.57 -31.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -78.88 -57.59 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.435 ' SG ' HD23 ' A' ' 122' ' ' LEU . 20.4 p -49.17 -28.24 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 135' ' ' PHE . 57.5 t -83.57 -28.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.9 t -77.59 -56.77 4.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.502 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 5.7 mt -57.27 -29.78 64.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.722 ' HG3' HG21 ' A' ' 99' ' ' VAL . 10.5 mm-40 -118.73 100.0 51.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -37.32 9.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 133' ' ' LYS . 47.4 mtmt -76.65 -52.14 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.578 ' HB3' ' CE2' ' A' ' 135' ' ' PHE . 3.3 m120 -38.97 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 131' ' ' LYS . 26.7 tttm -77.35 -42.21 37.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 133' ' ' LYS . 84.8 t -35.84 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.627 ' CB ' HG22 ' A' ' 126' ' ' VAL . 18.0 m-85 -72.89 -48.86 33.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 80.6 mt-30 -56.36 -47.31 79.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -63.67 -34.08 77.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.62 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.51 HD11 HG13 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -55.46 -53.72 52.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -65.9 -34.53 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -58.04 -38.31 76.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 119' ' ' VAL . 27.6 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 30' ' ' GLN . 21.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.014 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.8 p -38.23 -39.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -68.18 -41.45 81.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.9 tp-100 -86.42 -66.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.585 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -39.39 -27.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.3 ttp180 -38.36 -49.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -54.68 -48.13 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 38' ' ' LEU . 4.4 tp10 -38.93 -36.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.08 -60.44 3.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.2 m-20 -56.47 -52.65 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.7 -34.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 34' ' ' GLU . 18.9 mt -81.95 -28.83 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.4 t80 -66.55 -46.16 77.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.2 -7.27 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.5 m -102.08 -23.46 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.05 10.08 30.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.84 92.69 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 7.9 m-85 -77.79 -35.81 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.53 -35.93 87.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -88.64 -57.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.34 -41.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.0 tm? -65.96 -43.08 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -52.37 -45.67 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.97 71.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -52.98 -40.3 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.5 m -53.23 -59.21 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -48.86 -57.93 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.014 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -44.17 -55.25 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.38 -30.87 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.7 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 59' ' ' ALA . 54.1 mt -139.98 146.43 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.71 76.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -109.55 157.58 18.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 159.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 111.168 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.37 22.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 66' ' ' VAL . 38.3 tt0 -73.8 -24.39 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.38 -41.59 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.7 mt-30 -55.18 -43.24 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.606 HG13 HH21 ' A' ' 69' ' ' ARG . 90.5 t -56.78 -27.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.07 -43.88 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 46.6 m-70 -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.606 HH21 HG13 ' A' ' 66' ' ' VAL . 20.8 ptt180 -60.43 -26.78 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.05 -52.09 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.412 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 68.0 mtp180 -46.8 -44.84 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.99 -58.67 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.03 -59.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 7.4 m -44.49 -53.78 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 83' ' ' LYS . 5.8 m-70 -55.32 -57.88 10.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.664 HD23 ' HD1' ' A' ' 81' ' ' TYR . 19.0 mt -38.35 -50.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 23.7 mmtp -61.67 -34.69 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' HIS . 11.1 mt -94.74 40.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 39.23 32.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.42 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 23.3 m-20 -100.84 40.25 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.664 ' HD1' HD23 ' A' ' 76' ' ' LEU . 5.4 m-85 -50.23 -49.55 52.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' TYR . 6.3 m-20 -33.98 -57.5 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . 19.5 mtpt -72.41 -54.05 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -36.73 -65.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' OE2' HD12 ' A' ' 112' ' ' LEU . 11.3 tt0 -42.88 -38.5 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.1 m -77.73 -33.11 53.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.406 ' C ' ' HG2' ' A' ' 90' ' ' LYS . 17.3 mm-40 -68.87 -31.59 70.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.17 -46.98 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.452 ' HB2' ' CD ' ' A' ' 105' ' ' ARG . 38.4 t -63.45 -16.5 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 87' ' ' GLU . 16.5 ptpt -92.75 -26.87 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -83.26 -9.93 58.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.525 HD12 HH21 ' A' ' 105' ' ' ARG . 36.7 mt -85.53 -61.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.64 -33.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -55.94 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.58 -68.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.72 -44.13 1.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.19 40.38 2.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -115.19 69.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.007 HG13 HD22 ' A' ' 128' ' ' LEU . 21.7 m -52.74 -22.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -54.44 -42.23 70.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.7 -27.87 50.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 99' ' ' VAL . 11.9 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -62.76 -20.98 65.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -82.6 -48.1 11.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.525 HH21 HD12 ' A' ' 92' ' ' ILE . 4.1 ttm180 -53.66 -44.33 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.51 ' HA ' HD12 ' A' ' 109' ' ' LEU . 78.9 p -53.82 -46.18 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -45.14 -38.41 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.84 -45.73 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 106' ' ' SER . 21.5 mt -41.16 -57.26 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.473 ' OE1' HD22 ' A' ' 115' ' ' LEU . 16.5 mm-40 -56.12 -43.26 77.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.571 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -53.13 -45.21 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.412 HD12 ' OE2' ' A' ' 85' ' ' GLU . 68.7 mt -82.59 19.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.53 7.72 74.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 70.81 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.473 HD22 ' OE1' ' A' ' 110' ' ' GLU . 20.9 mt -82.42 -26.93 32.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.0 -40.66 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.463 ' HB2' HD22 ' A' ' 109' ' ' LEU . 3.7 mp0 -78.61 -46.39 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.41 ' HB3' ' OE2' ' A' ' 110' ' ' GLU . . . -43.18 -38.85 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.89 -54.59 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.1 mt -56.86 -59.52 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.45 ' O ' HD22 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -48.15 -34.41 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.442 ' HB3' HD12 ' A' ' 139' ' ' LEU . 38.6 mt -79.19 -37.97 36.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.563 ' HG2' HD11 ' A' ' 139' ' ' LEU . 24.1 mt-30 -56.78 -16.27 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -89.11 -25.8 21.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 73.5 m -67.93 -34.71 77.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.66 -34.15 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.8 t -62.27 -65.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.007 HD22 HG13 ' A' ' 99' ' ' VAL . 2.0 mp -52.51 -45.32 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -118.48 84.81 24.7 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -5.08 15.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -101.93 -52.0 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -41.09 123.76 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' GLN . 8.9 mptt -85.77 -42.73 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' LYS . 11.6 t -34.82 -34.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 133' ' ' LYS . 13.7 m-85 -79.4 -45.12 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 133' ' ' LYS . 76.1 mt-30 -57.84 -24.15 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.56 -54.45 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -44.27 -32.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.563 HD11 ' HG2' ' A' ' 123' ' ' GLN . 0.6 OUTLIER -85.96 -43.86 12.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -65.36 -21.05 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -80.38 -54.34 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 25.0 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.954 HG23 ' CB ' ' A' ' 54' ' ' ALA . 3.8 p -58.99 -38.07 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 2.0 pm0 -67.81 -37.34 81.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' ARG . 58.0 tt0 -86.77 -71.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.523 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -33.96 -33.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.58 ' HD2' HD21 ' A' ' 67' ' ' LEU . 7.7 tpt180 -34.23 -58.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -41.61 -49.99 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 8.7 tt0 -42.11 -43.59 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.09 -45.16 89.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.425 ' C ' ' HE3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -68.2 -59.19 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 48.9 mt-10 -41.86 -48.33 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 46' ' ' GLY . 17.7 mt -64.6 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -68.34 -52.74 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 13.5 ptpt -59.01 -10.63 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.76 -24.02 13.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.51 -34.85 4.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -51.27 97.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.471 ' CZ ' ' HD2' ' A' ' 77' ' ' LYS . 21.7 m-85 -82.69 -46.49 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.4 -36.15 29.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.475 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -84.43 -55.89 2.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.458 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -39.45 -51.86 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.747 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.3 tm? -54.19 -56.07 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.51 -51.85 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -56.19 -59.26 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -47.97 -38.37 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.0 m -58.09 -59.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.44 -56.84 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.954 ' CB ' HG23 ' A' ' 28' ' ' VAL . . . -45.14 -49.06 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.79 -32.35 70.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.36 31.64 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.1 mt -137.4 151.31 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.63 86.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.842 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -118.23 155.9 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -48.58 157.0 0.77 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.48 23.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -93.6 -35.73 12.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.455 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -78.69 -26.35 44.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 54.7 mt-30 -66.46 -45.09 80.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -66.32 -56.5 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' A' ' 63' ' ' ASP . 6.3 p -46.67 -38.66 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.58 HD21 ' HD2' ' A' ' 32' ' ' ARG . 21.2 mt -69.15 -38.42 78.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 13.5 m-70 -57.41 -46.52 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.7 ptt180 -70.37 -33.95 72.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 8.6 m120 -59.45 -51.95 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.747 ' HE ' HD21 ' A' ' 48' ' ' LEU . 47.7 mtp180 -43.58 -43.63 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.07 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.17 -59.62 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.89 -48.12 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 58.2 m-70 -50.22 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 81' ' ' TYR . 28.3 mt -37.22 -42.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 44' ' ' TYR . 56.4 mmtt -67.38 -41.95 84.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.9 mt -83.29 42.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 17.9 mt-10 35.55 32.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' LEU . 90.8 m-20 -109.61 39.62 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 111' ' ' LYS . 77.6 m-85 -41.02 -48.04 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -43.46 -53.78 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -54.29 -45.05 72.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.57 -40.25 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -52.51 -46.79 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -74.6 -38.53 62.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.475 ' HA ' ' CD ' ' A' ' 90' ' ' LYS . 62.8 mm-40 -64.47 -32.98 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 -37.22 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 t -76.16 -23.64 54.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 87' ' ' GLU . 9.6 ptmt -87.12 -25.16 24.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -82.34 -35.79 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' GLY . 57.5 mt -64.9 -56.35 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -47.28 -45.98 24.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 7.7 mmtp -49.75 -49.85 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 17.5 m-20 -88.05 -66.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 122.98 -49.51 0.89 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -123.21 65.15 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -122.29 102.94 8.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.606 HG11 ' HG2' ' A' ' 129' ' ' GLU . 3.1 m -66.27 -29.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -44.88 -59.99 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.09 -60.17 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -47.09 -39.23 12.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 -72.6 -39.74 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -52.57 -38.89 60.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -67.36 -22.65 65.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -72.31 -43.02 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD1' ' OD2' ' A' ' 121' ' ' ASP . 43.2 mt -59.98 -55.62 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -43.27 -42.53 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 21.3 mmtt -71.68 -50.42 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.03 -24.92 60.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.95 31.54 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.483 ' NE ' ' OE1' ' A' ' 117' ' ' GLN . 26.4 mtp85 -121.9 82.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.82 -35.17 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.459 ' HB3' ' NE2' ' A' ' 117' ' ' GLN . 16.9 t0 -49.69 -40.39 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.483 ' OE1' ' NE ' ' A' ' 114' ' ' ARG . 1.7 mp0 -82.12 -43.54 17.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.81 -43.1 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.81 -64.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.3 mt -46.11 -52.21 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 109' ' ' LEU . 24.3 m-20 -50.85 -46.13 60.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 139' ' ' LEU . 31.4 mt -64.37 -45.18 88.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.437 ' HG2' HD11 ' A' ' 139' ' ' LEU . 50.1 mt-30 -38.79 -43.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -67.09 -49.12 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 71.1 m -39.54 -47.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.91 -38.17 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -60.19 -40.6 90.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.5 ' HB2' HG12 ' A' ' 99' ' ' VAL . 10.6 mt -78.84 -42.95 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.606 ' HG2' HG11 ' A' ' 99' ' ' VAL . 41.8 mm-40 -115.01 90.21 22.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.5 Cg_endo -69.74 -25.21 28.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 19.1 ptpt -81.37 -42.13 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.51 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 6.3 m120 -54.83 106.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' VAL . 40.8 mtmt -78.43 -43.27 27.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' LYS . 59.0 t -36.16 -42.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.2 m-85 -67.37 -48.76 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -50.07 -21.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 2.1 mm-40 -93.79 -46.38 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.62 -43.64 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -65.64 -71.09 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.426 ' CG ' ' HA ' ' A' ' 137' ' ' GLU . 13.6 ptt85 -42.45 -34.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -54.19 -54.73 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.0 pt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 59' ' ' ALA . 1.4 p -52.23 -48.11 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -50.49 -39.17 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' ARG . 3.3 tp-100 -86.73 -67.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -37.92 -27.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' GLN . 2.2 ttp85 -40.49 -45.79 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -53.06 -50.92 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.728 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 27.2 tt0 -41.23 -40.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.88 -43.9 48.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.2 m-20 -69.06 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' N ' ' HE3' ' A' ' 40' ' ' LYS . 51.4 mt-10 -39.56 -44.28 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.7 -34.61 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -69.79 -49.68 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 37' ' ' GLU . 13.2 ptpt -62.87 -7.38 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.7 t -105.37 -19.59 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.05 -33.4 5.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.51 98.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 18.5 m-85 -84.95 -44.36 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.57 -30.45 20.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -92.54 -57.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.95 -35.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 111.055 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.3 tm? -68.66 -46.1 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -49.9 -43.17 49.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.728 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -63.39 -50.97 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -55.79 -36.89 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -55.99 -51.55 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.26 -49.41 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -43.62 -53.53 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.501 HD12 ' HD2' ' A' ' 71' ' ' ARG . 14.0 mt -62.38 -39.05 91.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.2 -44.84 74.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 59' ' ' ALA . 27.0 mt -75.64 134.01 40.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -55.91 84.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.752 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -99.47 153.37 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -37.58 156.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -13.63 34.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -93.96 -19.16 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.562 ' O ' HD12 ' A' ' 67' ' ' LEU . 1.1 m-20 -92.77 -31.23 15.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.6 mt-30 -61.7 -30.32 70.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -77.96 -66.18 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' ALA . 11.4 p -37.53 -36.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 63' ' ' ASP . 10.5 mt -71.97 -46.08 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' ALA . 19.2 m-70 -52.06 -49.95 62.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.43 -23.21 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.68 -47.04 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HD2' HD12 ' A' ' 55' ' ' LEU . 14.2 mtp-105 -57.24 -29.72 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . . . -59.11 -42.93 91.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -54.58 -56.23 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.23 -51.75 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -57.72 -53.24 60.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 81' ' ' TYR . 71.9 mt -47.45 -50.56 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 27.9 mmtm -61.34 -29.13 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.5 mt -97.8 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 4.4 tt0 35.35 45.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ASP . 35.2 t0 -125.77 35.7 4.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.3 m-85 -40.75 -26.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 80' ' ' ASP . 6.9 m-20 -47.27 -68.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' HE3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -61.35 -42.21 98.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.95 -60.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -44.91 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.514 HG22 ' HE3' ' A' ' 90' ' ' LYS . 21.5 m -38.5 -57.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 10.9 mt-10 -52.53 -37.37 57.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 85' ' ' GLU . . . -64.33 -36.3 83.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.4 p -76.01 -27.15 57.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.514 ' HE3' HG22 ' A' ' 86' ' ' THR . 66.5 mttt -74.73 -33.06 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.05 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.0 mt -82.42 -52.43 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 14.0 pt-20 -60.8 -39.52 89.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 17.2 mmtt -54.16 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -94.07 -70.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.43 -55.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.17 57.86 2.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -129.19 96.37 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.0 m -73.83 -23.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -53.6 -35.33 60.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.68 -44.48 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 99' ' ' VAL . 7.1 mt -47.48 -50.73 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.79 -48.42 72.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -54.46 -45.08 73.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -53.32 -54.75 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -48.55 -47.15 39.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.59 -36.92 37.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -82.63 -53.04 6.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 108' ' ' ALA . 78.4 mt -35.76 -56.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -51.17 -55.3 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.54 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 6.8 tptt -53.83 -50.74 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.77 -24.29 61.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.97 -17.55 8.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.73 102.01 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.68 -64.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -37.49 -46.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -61.48 -51.21 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.14 -45.67 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.58 HG13 HD11 ' A' ' 139' ' ' LEU . 40.6 t -70.42 -44.84 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.3 mt -56.82 -55.57 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 121' ' ' ASP . 0.1 OUTLIER -51.17 -35.64 37.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 124' ' ' ARG . 83.2 mt -70.94 -52.88 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -38.82 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' LEU . 69.2 mtt180 -84.28 -46.25 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' LEU . 19.5 p -58.82 -25.94 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.1 t -77.44 -32.48 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -69.44 -53.12 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -63.14 -25.71 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.415 ' HG3' ' ND2' ' A' ' 132' ' ' ASN . 31.8 mm-40 -125.08 88.99 53.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.7 12.56 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 133' ' ' LYS . 16.3 mmmt -110.44 -53.3 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.415 ' ND2' ' HG3' ' A' ' 129' ' ' GLU . 2.0 m-20 -36.62 95.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 131' ' ' LYS . 13.7 mmtp -73.65 -39.51 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.549 HG23 ' CD1' ' A' ' 135' ' ' PHE . 34.1 m -37.59 -32.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.549 ' CD1' HG23 ' A' ' 134' ' ' VAL . 16.3 m-85 -76.66 -51.07 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -51.93 -28.88 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.93 -47.29 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.79 -36.39 64.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.58 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -53.96 -58.86 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -66.77 -35.52 80.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -52.97 -27.8 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 28.2 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.852 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.964 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.5 p -40.19 -30.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.6 -46.68 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.7 tp-100 -87.13 -61.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.7 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -37.75 -32.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.588 ' NH2' HG21 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -39.15 -59.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -43.33 -44.56 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -42.16 -41.67 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.97 -52.3 29.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -54.98 -56.92 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.52 -41.76 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 mt -71.5 -35.34 70.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.4 t80 -66.72 -50.96 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -63.16 -7.33 5.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.14 -23.51 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 -32.7 5.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.35 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -83.33 -49.2 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.14 -32.04 9.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.7 -56.48 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -37.53 -41.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.41 -48.93 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.7 -51.7 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.23 -55.86 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -50.08 -33.93 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.0 m -60.28 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -48.2 -51.21 26.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.964 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -49.61 -50.9 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD1' ' CZ ' ' A' ' 71' ' ' ARG . 19.3 mt -63.63 -46.03 87.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.29 -44.24 27.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.23 148.15 47.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -73.27 85.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.673 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -96.59 174.64 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.28 159.19 31.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.165 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.29 36.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.312 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -89.76 -17.86 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.46 ' O ' HG12 ' A' ' 66' ' ' VAL . 4.7 t70 -93.35 -31.99 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -59.91 -21.46 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -83.13 -63.18 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.588 HG21 ' NH2' ' A' ' 32' ' ' ARG . 10.9 p -42.46 -36.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.53 -31.49 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' ALA . 4.6 m170 -67.7 -54.05 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.56 HH21 HG23 ' A' ' 66' ' ' VAL . 34.6 ptt180 -61.23 -27.22 68.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 2.8 m-80 -78.16 -56.33 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 55' ' ' LEU . 16.6 mtm180 -39.57 -45.78 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.48 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -41.58 -50.42 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -43.55 -63.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.4 m -38.36 -56.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -54.89 -59.08 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 81' ' ' TYR . 22.0 mt -43.68 -45.25 6.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -64.93 -35.94 82.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.41 35.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 51.19 46.7 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -126.11 74.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.63 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 18.6 m-85 -88.31 -34.7 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.29 -37.61 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -86.1 -46.27 10.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.9 -57.65 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.77 -48.42 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -56.34 -59.73 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 44.1 mt-10 -46.35 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.99 -60.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.3 t -40.89 -56.37 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -49.17 -48.96 44.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.23 -62.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' HG ' ' A' ' 102' ' ' LEU . 70.2 mt -52.24 -25.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.52 -37.17 32.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -59.51 -50.07 75.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.24 -70.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.96 -41.67 1.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.15 53.88 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.13 92.34 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 17.8 m -64.02 -35.72 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 99' ' ' VAL . 14.3 mmmm -37.48 -38.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' A' ' 69' ' ' ARG . . . -82.46 -37.71 25.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 99' ' ' VAL . 7.9 mt -58.28 -40.73 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -69.03 -27.99 66.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -83.33 -32.55 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.8 -45.06 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.8 p -50.5 -45.55 56.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -49.58 -35.05 19.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.08 -55.55 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.1 mt -44.17 -42.72 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.434 ' HA ' HD23 ' A' ' 115' ' ' LEU . 24.0 mm-40 -56.69 -54.38 46.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.63 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -62.53 -26.81 68.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.84 -0.33 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.53 8.51 87.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -97.81 57.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 110' ' ' GLU . 50.6 mt -55.89 -60.49 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' LEU . 3.3 m-20 -35.3 -42.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.809 ' HA ' HD12 ' A' ' 120' ' ' LEU . 19.4 mm-40 -68.88 -50.91 45.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -38.55 -47.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.589 HG13 HD11 ' A' ' 139' ' ' LEU . 30.0 t -63.77 -42.43 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 117' ' ' GLN . 10.6 mt -64.4 -51.14 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.1 -17.09 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.3 mt -92.85 -39.49 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.75 -20.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -88.01 -32.69 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.427 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 94.7 m -54.68 -27.11 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.24 -39.5 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.8 t -61.99 -35.88 79.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.488 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -83.85 -38.98 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.425 ' HG2' HG21 ' A' ' 99' ' ' VAL . 10.4 mm-40 -126.45 84.01 63.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.743 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.03 20.02 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -99.35 -28.05 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.688 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 5.4 m-20 -66.1 76.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -46.86 -40.61 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.448 ' N ' ' HG2' ' A' ' 133' ' ' LYS . 28.5 m -39.11 -40.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.688 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 13.9 m-85 -72.13 -52.51 16.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -43.72 -29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -92.65 -52.1 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -41.94 -31.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.589 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -69.42 -57.54 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -34.82 76.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.5 -37.14 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.922 0.392 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.912 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.2 p -50.58 -38.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.27 -34.91 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.4 tp-100 -91.02 -69.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.599 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.09 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.2 ttp180 -34.96 -51.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -52.5 -49.28 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 15.4 tt0 -39.82 -40.44 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.73 -63.56 3.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.1 m-20 -56.17 -53.9 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -42.65 -42.92 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.3 mt -74.77 -32.2 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.797 ' CZ ' ' HB1' ' A' ' 73' ' ' ALA . 19.1 t80 -68.17 -52.51 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -4.22 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.8 t -103.96 -24.44 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.31 -33.34 4.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -59.34 93.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -80.14 -48.07 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.83 -37.4 35.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -81.52 -55.27 3.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.13 -49.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' ALA . 2.7 tm? -54.74 -55.53 29.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -37.42 -57.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -48.45 -55.05 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -50.05 -46.45 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.9 m -49.6 -53.23 25.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -56.37 -58.43 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.912 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -36.92 -54.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.09 -44.72 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.06 -42.78 23.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -73.89 148.38 42.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.13 81.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.699 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -98.17 167.98 10.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 p -52.81 156.24 3.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -94.53 -42.85 8.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.05 -43.81 91.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.833 ' HA ' HD12 ' A' ' 67' ' ' LEU . 31.4 mt-30 -47.76 -55.17 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.16 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.519 HG13 ' NH2' ' A' ' 69' ' ' ARG . 96.9 t -58.03 -39.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 64' ' ' GLN . 5.1 mt -70.02 -42.33 73.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -59.09 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.519 ' NH2' HG13 ' A' ' 66' ' ' VAL . 48.3 ptt85 -63.61 -36.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -69.17 -45.1 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -49.44 -51.64 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . . . -41.4 -40.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.797 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -51.53 -58.22 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.4 m -45.32 -52.82 9.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -57.69 -54.94 41.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 73' ' ' ALA . 50.2 mt -40.37 -47.89 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -68.4 -39.67 81.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.26 40.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.9 47.01 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.71 51.26 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.483 ' CD2' ' HG2' ' A' ' 111' ' ' LYS . 44.8 m-85 -63.11 -43.79 97.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.46 ' HA ' HD21 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -41.61 -61.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mtpt -61.27 -53.47 56.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.66 -51.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -45.11 -47.44 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' LYS . 17.0 m -63.55 -59.67 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 8.8 mt-10 -42.89 -30.48 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.7 -48.06 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.2 t -62.24 -25.47 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -87.09 -35.44 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.6 69.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.86 -63.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 6.4 pt-20 -46.81 -31.61 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 14.1 mmtm -52.88 -59.18 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.36 -56.31 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.23 23.6 21.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.26 35.82 0.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -127.1 80.01 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.047 HG13 HD22 ' A' ' 128' ' ' LEU . 6.2 m -51.3 -37.45 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' VAL . 19.9 mmtp -35.99 -39.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.19 -54.03 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 99' ' ' VAL . 20.3 mt -42.73 -54.69 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -48.15 -43.14 31.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -70.48 -41.43 72.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -51.34 -50.02 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 p -45.38 -44.01 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -49.4 -45.15 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 -43.35 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.455 HD23 ' HD3' ' A' ' 114' ' ' ARG . 40.6 mt -52.39 -58.45 6.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -50.93 -44.88 60.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 10.0 tptt -59.41 -37.43 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 82' ' ' ASP . 7.7 mt -84.83 28.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 54.23 30.58 48.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.455 ' HD3' HD23 ' A' ' 109' ' ' LEU . 73.2 mtp85 -106.47 41.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.5 mt -52.4 -38.16 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.23 -38.54 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.576 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.7 mp0 -78.06 -47.15 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.29 -39.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.752 HG13 HD21 ' A' ' 139' ' ' LEU . 79.6 t -64.56 -55.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 117' ' ' GLN . 6.4 mt -54.25 -44.27 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -49.18 78.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.402 ' HB2' HD12 ' A' ' 139' ' ' LEU . 93.9 mt -63.57 -43.97 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.547 ' CG ' HD11 ' A' ' 139' ' ' LEU . 24.2 mt-30 -42.6 -40.59 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 127' ' ' SER . 43.1 mtt-85 -59.88 -53.81 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.521 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 40.9 m -38.2 -59.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.9 t -48.06 -35.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.4 t -57.35 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.047 HD22 HG13 ' A' ' 99' ' ' VAL . 1.9 mp -55.46 -46.33 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -119.25 99.86 50.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.74 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -24.65 29.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -88.16 -46.5 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.579 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.7 m120 -36.39 117.3 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 136' ' ' GLN . 12.5 ttpt -87.47 -45.07 10.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 133' ' ' LYS . 77.0 t -35.48 -33.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 27.0 m-85 -73.16 -47.46 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 133' ' ' LYS . 64.9 mt-30 -57.37 -50.96 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.3 pt-20 -57.51 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 137' ' ' GLU . . . -63.9 -58.88 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.752 HD21 HG13 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -63.94 -39.36 93.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -66.52 -29.01 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 56.8 m-20 -69.45 -50.99 40.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 49.1 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -165.86 167.53 16.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -146.66 169.34 19.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.813 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.93 -167.24 37.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -168.58 148.57 4.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -148.31 143.57 26.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' THR . . . 168.35 -88.7 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ptm 38.78 37.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 7' ' ' GLY . 22.6 p -95.91 25.17 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.8 t -107.13 148.84 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.2 m -128.62 129.09 45.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.1 146.38 4.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -46.68 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.96 -167.02 18.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 t -173.29 141.39 0.93 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 111.117 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 174.11 10.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -162.87 146.09 8.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.07 25.52 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.712 2.274 . . . . 0.0 112.362 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -147.21 144.48 19.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.902 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 159.63 52.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.04 86.86 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -169.1 141.81 2.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.72 . . . . 0.0 111.114 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 159.12 54.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.07 -43.46 2.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.61 94.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -81.71 50.29 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' GLN . 16.8 m -98.94 123.97 43.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.017 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.7 p -35.27 -40.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 5.5 pt-20 -58.72 -46.68 86.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' SER . 38.0 tt0 -90.64 -68.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.38 -42.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' N ' HD12 ' A' ' 31' ' ' LEU . 31.5 ttt180 -36.55 -49.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -46.78 -44.78 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.673 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 18.1 tt0 -42.98 -44.45 4.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.55 -64.03 4.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.43 ' C ' ' HE3' ' A' ' 40' ' ' LYS . 10.7 m120 -54.54 -46.58 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -51.08 -41.41 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.79 -30.55 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -69.35 -49.09 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.7 ptpt -61.32 -8.91 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -104.88 -21.58 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.15 -29.24 7.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.95 93.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.58 -46.31 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.27 -38.61 26.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -82.31 -53.67 3.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.449 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.44 -50.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.88 -53.98 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.47 -51.77 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.673 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -55.46 -54.23 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -53.44 -35.31 60.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -58.94 -58.74 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.6 -51.83 52.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.017 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -47.55 -47.73 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.506 HD12 ' HE ' ' A' ' 71' ' ' ARG . 16.2 mt -68.38 -27.23 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.46 33.23 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -137.1 -179.42 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -88.55 60.18 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.976 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -85.18 166.18 16.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 159.79 80.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.51 36.08 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.366 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -85.47 -23.01 28.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.43 -33.33 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.735 ' HA ' HD12 ' A' ' 67' ' ' LEU . 43.2 mt-30 -57.16 -35.3 69.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.0 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.15 -32.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 64' ' ' GLN . 6.5 mt -73.86 -41.37 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -56.67 -51.88 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -63.7 -24.42 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -76.36 -41.15 49.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.506 ' HE ' HD12 ' A' ' 55' ' ' LEU . 14.9 mtt180 -53.67 -43.52 68.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.64 66.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.92 -50.11 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.2 m -59.8 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' LEU . 22.5 m-70 -54.67 -59.16 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.483 HD23 ' HD1' ' A' ' 81' ' ' TYR . 28.5 mt -39.45 -48.96 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -65.89 -32.77 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' HIS . 7.4 mt -96.16 46.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' LEU . 6.1 tt0 36.3 47.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 9.6 m-20 -121.42 43.01 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.483 ' HD1' HD23 ' A' ' 76' ' ' LEU . 6.3 m-85 -55.48 -50.5 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.43 -55.81 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' ALA . 27.9 mttt -72.12 -51.72 20.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.68 -49.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -52.33 -56.77 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.3 m -53.37 -57.55 10.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.74 -53.22 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 101' ' ' ALA . . . -46.93 -52.98 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.0 t -49.61 -46.26 49.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.12 -34.5 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.25 -20.3 37.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -83.64 -37.66 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.26 -42.73 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -45.7 -57.05 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -110.92 -70.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 129.12 -35.36 2.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.35 23.64 26.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.02 80.27 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.856 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.6 m -62.45 -19.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -55.87 -56.74 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 88' ' ' ALA . . . -64.09 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 99' ' ' VAL . 22.7 mt -68.23 -51.25 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -60.51 -28.91 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -84.77 -39.88 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.429 ' NH2' ' OD1' ' A' ' 121' ' ' ASP . 15.8 ttp180 -55.3 -50.62 69.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -51.58 -49.22 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -48.97 -43.71 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.3 -51.77 48.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 112' ' ' LEU . 47.5 mt -50.41 -54.8 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -40.85 -36.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.468 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 9.3 mptt -77.7 -39.96 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 109' ' ' LEU . 45.1 mt -64.62 -23.35 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.65 -7.2 27.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -89.69 91.39 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 116' ' ' ASP . 20.7 mt -79.7 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.1 m-20 -36.34 -47.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 120' ' ' LEU . 17.4 mm-40 -63.05 -52.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.632 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -45.56 -35.97 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.42 HG13 HD21 ' A' ' 139' ' ' LEU . 21.4 t -72.53 -44.94 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 117' ' ' GLN . 11.7 mt -52.45 -54.41 32.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.429 ' OD1' ' NH2' ' A' ' 105' ' ' ARG . 74.0 m-20 -53.92 -50.48 66.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' CYS . 40.6 mt -55.72 -52.1 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -40.98 -33.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -74.07 -39.48 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 122' ' ' LEU . 60.4 m -54.33 -34.1 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.9 t -66.61 -38.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.0 t -61.47 -61.56 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.791 ' HB2' HG11 ' A' ' 99' ' ' VAL . 2.8 mm? -50.12 -55.23 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.89 88.78 8.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.697 0.76 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.26 9.9 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -106.61 -43.25 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -51.92 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 135' ' ' PHE . 17.8 mtpt -71.38 -34.69 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 133' ' ' LYS . 69.9 t -35.55 -31.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 133' ' ' LYS . 19.4 m-85 -82.14 -51.69 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -47.39 -25.23 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -95.68 -53.02 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.6 -28.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.42 HD21 HG13 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -68.58 -59.68 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.9 -18.74 63.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.48 -33.2 73.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.632 HD12 ' HB3' ' A' ' 118' ' ' ALA . 5.1 pt -105.29 -22.91 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.3 t -70.39 -30.72 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 49.45 -158.62 1.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 164.16 35.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.6 t -99.78 134.37 42.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.6 m -132.03 166.88 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -161.14 135.2 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -155.77 169.49 24.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -179.48 -41.64 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 67.2 m -35.58 146.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.816 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -163.17 168.85 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.15 145.27 4.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.68 136.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.2 p -134.47 158.61 43.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 p -114.7 141.93 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -166.21 140.07 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.85 154.33 17.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.7 48.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.06 74.46 1.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.623 HG23 ' HD2' ' A' ' 16' ' ' PRO . 88.4 m -126.08 138.17 31.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.173 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 15' ' ' THR . 53.6 Cg_endo -69.76 158.61 56.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -109.28 144.27 29.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 144.8 55.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.4 mtp-105 -102.13 144.07 27.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.78 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.34 -179.8 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -171.42 141.45 1.31 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.164 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 102.91 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.262 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.22 79.66 0.29 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.28 46.15 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.659 ' O ' HD11 ' A' ' 57' ' ' LEU . 2.2 m -104.67 -34.85 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 m -64.98 116.8 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.801 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.103 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.7 p -55.04 -24.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -78.36 -46.45 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' LEU . 2.9 tp60 -82.54 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.694 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -35.56 -40.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' LEU . 12.0 ttt180 -34.85 -54.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -40.1 -48.89 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 17.0 tt0 -45.65 -43.46 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.36 -62.06 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.4 m-20 -59.05 -57.51 12.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 8.1 mm-40 -39.48 -41.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.0 mt -72.18 -35.89 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.3 t80 -68.25 -52.95 28.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -55.65 -13.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.1 t -104.45 -24.43 13.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.78 -29.32 6.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.78 89.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -80.58 -47.16 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.95 -35.56 18.33 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.86 -51.15 3.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.23 -43.65 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 71' ' ' ARG . 2.8 tm? -62.0 -51.35 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.53 -50.32 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -53.63 -52.13 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -52.24 -43.67 64.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -47.19 -59.27 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -50.86 -63.52 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.103 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -38.56 -45.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.2 -42.53 83.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.72 -46.34 30.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.659 HD11 ' O ' ' A' ' 26' ' ' SER . 78.2 mt -65.09 159.1 24.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -80.35 46.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.823 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -58.99 160.64 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.81 157.5 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -18.26 36.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -84.91 -31.37 23.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -38.37 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 67' ' ' LEU . 63.1 mt-30 -57.65 -55.38 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.46 ' CB ' ' OD1' ' A' ' 95' ' ' ASP . . . -45.3 -40.97 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.46 -55.54 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' GLN . 9.1 mt -54.2 -30.81 51.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.827 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 8.8 m-70 -65.45 -58.21 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -62.44 -21.59 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -79.08 -54.86 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HD2' HD21 ' A' ' 48' ' ' LEU . 21.8 mtm180 -44.39 -55.02 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.62 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.2 m -43.03 -47.79 5.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 78' ' ' LEU . 37.7 m-70 -58.21 -61.45 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -40.32 -44.23 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -70.02 -35.47 74.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.1 mt -92.32 45.42 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.9 mt-10 36.32 46.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -121.09 45.97 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CE1' ' HD3' ' A' ' 111' ' ' LYS . 35.0 m-85 -56.9 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -38.05 -57.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.8 mtpt -69.31 -44.15 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.89 -57.19 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -49.41 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.4 m -54.68 -54.14 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.55 -45.37 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.72 -52.03 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.0 p -50.3 -46.53 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -62.65 -41.31 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -62.39 -41.18 98.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.01 -65.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 11.6 pt-20 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 16.3 mmtp -50.2 -55.76 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 4.0 m-20 -94.84 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.89 -42.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.59 55.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -120.1 89.05 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.4 m -69.13 -29.34 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -46.96 -43.08 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.2 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.596 HD23 ' OD2' ' A' ' 121' ' ' ASP . 9.5 mt -52.92 -42.4 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -59.17 -28.96 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -85.89 -38.18 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -55.29 -35.17 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.4 p -69.88 -26.38 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.87 -41.16 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.98 -48.67 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.504 HD23 ' HD2' ' A' ' 114' ' ' ARG . 73.2 mt -46.91 -51.18 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.16 -50.53 48.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.401 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 2.2 mptp? -62.29 -33.52 74.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.4 24.37 0.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.28 26.45 50.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.504 ' HD2' HD23 ' A' ' 109' ' ' LEU . 95.7 mtt180 -106.21 57.35 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.81 -32.99 74.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.24 -33.28 74.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.679 ' HA ' HD12 ' A' ' 120' ' ' LEU . 2.2 mp0 -84.48 -38.22 20.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.21 -38.51 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 142' ' ' ILE . 53.1 t -66.36 -50.31 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.0 mt -56.24 -61.78 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.596 ' OD2' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -43.14 -39.2 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.697 ' HB2' HD13 ' A' ' 139' ' ' LEU . 54.0 mt -75.79 -40.8 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -47.79 -20.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -87.01 -53.18 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.58 -22.96 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 92.3 t -79.74 -25.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.1 t -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 9.2 mt -54.14 -31.53 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -130.1 88.45 48.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -24.23 29.74 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -83.68 -39.04 20.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.0 m120 -52.78 95.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -71.26 -35.0 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.0 t -45.78 -30.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 17.0 m-85 -78.51 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.76 -39.31 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.8 pt-20 -68.19 -33.29 74.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.48 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -75.57 -41.26 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.697 HD13 ' HB2' ' A' ' 122' ' ' LEU . 34.8 tp -67.27 -59.04 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -44.06 -22.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 138' ' ' ALA . 51.4 m-20 -70.62 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.514 ' CG1' ' N ' ' A' ' 143' ' ' SER . 5.5 pt -73.9 -46.46 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.514 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 13.4 t -54.65 -46.49 73.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -55.88 146.2 31.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 146' ' ' SER . 53.9 Cg_endo -69.69 86.26 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 145' ' ' PRO . 4.8 t 34.61 45.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.1 t -103.66 88.4 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -174.9 161.77 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -136.02 171.76 14.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.85 -176.59 35.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -140.61 179.89 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 p -74.29 -67.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.74 -160.72 19.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.8 tpp -158.04 141.61 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -118.13 149.48 40.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.9 t -154.36 133.21 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -115.72 172.39 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.42 83.46 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 174.99 8.78 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.49 133.11 6.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -124.37 66.52 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 111.177 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' GLU . 54.3 Cg_endo -69.77 -168.17 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.626 2.217 . . . . 0.0 112.332 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . 7.3 pt-20 -37.25 144.14 0.32 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.729 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 84.06 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.395 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -107.96 140.01 21.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.74 2.47 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.01 39.38 23.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -146.35 140.52 15.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.721 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.79 14.75 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.688 2.258 . . . . 0.0 112.377 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.19 60.98 1.58 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.54 50.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.2 m -110.14 75.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.607 ' C ' HD23 ' A' ' 31' ' ' LEU . 58.4 m -123.91 121.69 36.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.046 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -56.51 -23.11 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.75 -41.77 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -90.95 -65.73 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -39.32 -34.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -39.36 -43.14 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.1 -42.6 99.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.4 tp10 -43.62 -36.37 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.88 -55.51 4.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -52.23 -46.78 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 6.4 pt-20 -59.57 -28.92 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -74.11 -48.58 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 6.1 ptpt -51.29 -16.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.3 m -103.35 -24.74 13.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 118.51 -28.92 6.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.468 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.0 93.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 15.1 m-85 -80.25 -49.45 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.17 -27.76 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.427 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -91.57 -57.01 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.3 -40.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.2 tm? -68.68 -42.53 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.9 -45.32 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -52.79 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.11 -31.31 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 m -63.69 -59.23 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -49.51 -53.32 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.046 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -45.54 -41.12 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -33.92 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.12 36.95 2.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.0 mt -142.67 155.19 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.12 85.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB3' ' OE1' ' A' ' 64' ' ' GLN . . . -119.5 141.23 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.55 159.52 0.68 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.704 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.48 28.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.325 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.24 -23.76 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.25 -37.93 31.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.61 ' OE1' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -57.13 -58.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.0 -39.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.51 -55.52 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.7 -25.62 54.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -71.27 -52.88 16.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -58.79 -26.08 63.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.58 -53.81 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HE ' HD21 ' A' ' 48' ' ' LEU . 37.0 mtp180 -44.07 -51.01 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.72 -47.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.74 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.3 m -46.36 -55.54 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -54.96 -50.5 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.9 mt -48.87 -52.73 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -62.41 -33.39 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' GLU . 8.6 mt -90.67 45.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 5.8 tm-20 33.4 50.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -129.54 49.6 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.483 ' CG ' ' HG2' ' A' ' 111' ' ' LYS . 34.9 m-85 -60.8 -37.07 80.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.57 -53.47 18.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' ALA . 83.8 mttt -70.35 -53.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -37.51 -44.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -49.58 -48.56 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 m -57.37 -55.53 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' ALA . 81.5 mm-40 -49.68 -62.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.47 -58.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -54.02 -52.11 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -49.2 -48.17 45.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.43 -20.95 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' GLY . 97.9 mt -85.43 -59.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -54.89 -15.59 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -70.33 -59.2 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -107.45 -37.7 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 99.67 -54.24 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.82 59.64 4.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -123.11 77.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.765 HG21 ' OE2' ' A' ' 129' ' ' GLU . 18.2 m -57.99 -24.87 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -55.13 -56.42 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.36 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 99' ' ' VAL . 6.7 mt -58.97 -50.9 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -59.81 -37.1 78.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -69.09 -48.6 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -49.18 -41.7 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.452 ' HA ' HD12 ' A' ' 109' ' ' LEU . 53.1 p -53.64 -43.21 68.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.96 -46.98 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.71 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.495 HD11 ' OD2' ' A' ' 121' ' ' ASP . 40.5 mt -65.83 -59.3 4.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.83 -28.59 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.2 tppt? -77.45 -51.27 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.88 -22.71 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 34.35 3.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -118.09 59.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 119' ' ' VAL . 16.8 mt -60.29 -25.28 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -64.59 -38.84 92.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.615 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.5 mp0 -81.24 -44.39 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.37 -36.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 142' ' ' ILE . 63.4 t -66.57 -55.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 117' ' ' GLN . 5.6 mt -52.45 -51.97 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.495 ' OD2' HD11 ' A' ' 109' ' ' LEU . 13.9 m-20 -58.08 -44.47 87.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 126' ' ' VAL . 31.7 mt -67.96 -29.89 69.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -62.72 -18.28 62.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.433 ' HD3' HD21 ' A' ' 102' ' ' LEU . 43.4 mtp180 -86.16 -56.02 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 31.5 p -48.7 -21.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 122' ' ' LEU . 58.9 t -85.65 -29.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.6 t -72.56 -57.49 4.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.5 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.9 mt -61.67 -18.97 61.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.765 ' OE2' HG21 ' A' ' 99' ' ' VAL . 12.5 mt-10 -135.04 95.56 15.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.8 Cg_endo -69.67 -43.59 2.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' LYS . 25.2 mtpt -71.78 -38.35 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.1 m120 -47.14 91.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' LYS . 7.7 ttmt -74.26 -37.23 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 87.4 t -39.98 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.3 m-85 -79.48 -55.65 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -50.6 -46.04 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.55 -33.5 73.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -79.33 -33.67 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -46.46 -21.21 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -68.94 -60.95 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.522 ' CG1' ' N ' ' A' ' 143' ' ' SER . 4.4 pt -80.34 -45.53 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.522 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 34.0 t -59.6 -36.37 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -72.12 149.48 44.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 94.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.0 t 38.46 43.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.5 t -121.35 95.28 4.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -164.33 160.54 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -147.56 175.89 10.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.91 -142.23 13.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t 64.06 44.1 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p -77.48 170.41 16.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.91 159.13 29.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mmt -144.14 113.96 7.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -124.5 155.05 39.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -130.95 111.22 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -124.25 165.62 17.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.01 146.22 18.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -177.23 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.71 78.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.3 t -110.89 142.17 25.67 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 110.93 2.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -175.02 150.94 1.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 149.47 66.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -104.28 143.92 27.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.86 62.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.294 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.84 177.37 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -113.61 140.63 24.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 139.75 40.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.56 -70.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 39.45 49.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -112.25 84.55 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.2 t -110.5 136.08 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.2 p -42.98 -33.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -81.79 -41.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.25 -64.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.2 pp -42.99 -28.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -38.8 -45.98 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -55.5 -41.17 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tp10 -47.48 -38.64 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.15 -63.5 3.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -54.87 -53.07 60.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.96 -39.93 9.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -74.13 -33.61 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -68.37 -50.85 50.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -60.89 -9.25 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 t -104.43 -22.78 13.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.43 -29.05 7.83 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.35 92.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -79.51 -47.26 15.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.36 -34.74 9.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -87.79 -53.83 2.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -38.07 -48.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.58 -49.75 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.04 -40.87 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.08 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -55.92 -37.78 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.5 m -53.75 -54.49 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -57.02 -58.82 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -40.14 -43.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD12 ' HD2' ' A' ' 71' ' ' ARG . 28.2 mt -73.48 -39.55 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.93 -44.36 55.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.1 mt -67.13 160.17 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.07 82.23 8.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -101.95 169.85 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -55.69 158.75 5.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.24 35.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.532 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.8 tt0 -87.55 -35.24 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -68.67 -45.35 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 19.5 mt-30 -51.29 -55.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.91 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 62' ' ' GLN . 79.6 t -59.29 -37.14 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.84 -32.6 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -64.07 -50.38 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 7.4 ptm180 -59.85 -20.88 59.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -84.16 -55.95 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HD2' HD12 ' A' ' 55' ' ' LEU . 62.4 mtp180 -37.05 -53.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . -41.24 -59.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . . . -36.7 -50.31 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.31 -50.36 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 10.4 m-70 -56.56 -52.19 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.3 mt -48.51 -49.71 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -64.68 -37.08 86.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.3 mt -86.32 39.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 37.64 43.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -120.85 43.14 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -55.03 -31.24 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' HA ' HD21 ' A' ' 112' ' ' LEU . 5.0 m-20 -52.42 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -69.05 -35.87 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . . . -45.53 -60.02 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -46.7 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.8 m -50.6 -54.67 20.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.77 -52.71 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.35 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.3 t -52.83 -43.91 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -55.86 -40.84 73.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.65 79.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' GLY . 80.2 mt -68.84 -58.78 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.27 -46.81 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -41.47 -57.02 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -104.86 -68.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 129.49 -48.45 0.97 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -96.14 47.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -108.46 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.015 HG13 HD22 ' A' ' 128' ' ' LEU . 11.6 m -73.9 -15.16 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 43.2 mmtt -62.23 -56.48 18.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 69' ' ' ARG . . . -65.88 -30.05 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 99' ' ' VAL . 11.0 mt -59.12 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -42.8 -34.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -77.76 -52.06 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -38.84 -59.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.2 p -41.07 -48.28 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 111' ' ' LYS . 93.6 mm-40 -42.3 -45.39 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -71.28 -59.01 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.46 HD22 ' HD3' ' A' ' 114' ' ' ARG . 87.4 mt -37.72 -54.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.8 -39.1 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -75.09 -24.88 58.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 82' ' ' ASP . 83.3 mt -88.29 5.87 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.93 19.16 65.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.46 ' HD3' HD22 ' A' ' 109' ' ' LEU . 95.9 mtt180 -105.56 82.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.0 -51.2 57.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.75 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.6 mp0 -67.45 -49.15 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.47 -39.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.68 -50.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.0 mt -55.17 -50.18 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.422 ' OD2' HD23 ' A' ' 102' ' ' LEU . 8.3 t70 -52.39 -53.09 49.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 123' ' ' GLN . 39.5 mt -60.97 -52.2 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 122' ' ' LEU . 55.1 mt-30 -35.02 -38.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -63.21 -51.77 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 122' ' ' LEU . 34.6 m -46.29 -27.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.78 -39.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.7 t -63.85 -62.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.015 HD22 HG13 ' A' ' 99' ' ' VAL . 2.5 mp -52.73 -46.01 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -120.95 91.64 47.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.85 17.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -37.48 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.8 m-80 -52.36 107.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -82.17 -30.62 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 41.3 t -49.57 -27.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.7 m-85 -82.34 -41.98 19.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.36 -37.92 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -41.26 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.461 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -64.25 -68.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 138' ' ' ALA . 4.3 tp -33.0 -66.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' LEU . 16.6 mmm180 -35.76 -42.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 138' ' ' ALA . 20.5 m-20 -47.39 -65.76 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.509 ' CG1' ' N ' ' A' ' 143' ' ' SER . 7.2 pt -76.42 -48.06 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.509 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 33.2 t -45.3 -47.04 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 103.19 176.34 26.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.8 21.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.315 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 60.1 p -40.93 106.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.6 p -153.76 119.61 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -131.08 118.09 20.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -90.37 92.07 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.01 -171.88 18.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -66.97 166.04 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.804 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -157.02 160.77 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.85 107.63 0.19 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.5 ttm -80.86 -54.6 5.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 p -152.74 171.32 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.203 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -93.81 145.92 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.9 m -113.48 163.83 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.48 173.58 27.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -36.3 11.13 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.38 68.32 1.38 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.2 m -129.82 80.17 71.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -178.57 2.43 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -61.32 151.69 75.61 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -108.6 154.44 41.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -179.48 2.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 160.17 20.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.6 t -173.45 141.71 0.93 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 107.07 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.266 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.24 162.12 40.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.96 49.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -89.42 -52.44 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 m -43.32 120.98 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -49.51 -44.05 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.0 -25.44 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -91.08 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -45.63 -26.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -39.52 -39.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -67.75 -38.88 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.6 tp10 -47.25 -48.4 24.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -58.17 10.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -48.52 -62.46 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -40.01 -38.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 47' ' ' ALA . 74.9 mt -73.48 -38.1 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ASN . 20.9 t80 -68.53 -52.93 26.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -67.42 -3.47 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -109.54 -10.85 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.36 -31.53 8.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.49 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CZ ' ' HE3' ' A' ' 77' ' ' LYS . 29.7 m-85 -86.52 -48.64 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.78 -35.41 7.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.428 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -86.61 -55.29 2.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.478 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.434 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -37.37 -50.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.786 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.3 tm? -56.03 -51.99 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.13 -51.91 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 -48.05 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -55.95 -43.02 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -53.88 -43.63 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -54.98 -51.52 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.58 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -48.53 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 HH11 ' A' ' 71' ' ' ARG . 43.5 mt -50.29 -40.14 47.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.29 -42.13 72.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ALA . 59.2 mt -77.37 138.64 39.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.45 80.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.63 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -93.46 177.61 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 157.11 89.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.08 36.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.76 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.22 -40.01 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' HD12 ' A' ' 67' ' ' LEU . 65.7 mt-30 -56.45 -53.27 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.45 -47.88 13.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG13 ' NH2' ' A' ' 69' ' ' ARG . 23.7 t -61.92 -34.46 63.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 64' ' ' GLN . 11.9 mt -74.0 -33.83 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.722 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 25.9 m-70 -61.47 -37.43 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.446 ' NH2' HG13 ' A' ' 66' ' ' VAL . 16.1 ptt180 -81.35 -23.93 37.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.08 -49.48 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.599 ' HD2' HD22 ' A' ' 48' ' ' LEU . 30.7 mmm-85 -49.4 -56.64 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.581 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -44.3 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.0 m -39.54 -51.37 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 9.5 m-70 -54.11 -53.02 58.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 73' ' ' ALA . 29.2 mt -48.51 -45.5 37.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 23.1 mmmt -68.13 -36.53 79.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.64 39.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 38.77 49.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 57.6 m-20 -123.13 27.04 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 m-85 -41.88 -47.08 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 112' ' ' LEU . 30.8 t70 -36.93 -58.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -69.01 -45.09 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.91 -56.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE2' ' CG ' ' A' ' 105' ' ' ARG . 38.6 tp10 -41.67 -64.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -45.79 -58.3 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.0 mm-40 -49.91 -61.07 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -33.91 -58.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.442 ' HA ' HD12 ' A' ' 92' ' ' ILE . 35.0 t -49.55 -48.66 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -50.14 -43.74 52.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.722 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -68.49 -16.94 64.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 89' ' ' SER . 84.7 mt -89.41 -65.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -41.81 -47.75 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 19.2 mmtt -36.9 -51.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.15 -64.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.44 -50.51 0.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.86 47.44 2.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -113.48 90.96 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 102' ' ' LEU . 8.5 m -67.56 -39.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' N ' HG23 ' A' ' 99' ' ' VAL . 8.4 mmtp -41.25 -42.39 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.42 60.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 99' ' ' VAL . 12.8 mt -56.55 -54.0 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.81 -43.23 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.2 mmt-85 -61.48 -30.06 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.4 ' CG ' ' OE2' ' A' ' 85' ' ' GLU . 44.4 ttp180 -71.59 -49.13 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 p -51.25 -30.66 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -65.6 -31.41 72.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.12 -41.66 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.538 ' CD2' ' CZ ' ' A' ' 114' ' ' ARG . 47.8 mt -56.98 -41.3 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -58.14 -43.06 87.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.548 ' HE3' ' CE1' ' A' ' 81' ' ' TYR . 19.5 mmtt -75.8 -17.33 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 82' ' ' ASP . 65.1 mt -91.85 6.55 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.72 18.1 77.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.538 ' CZ ' ' CD2' ' A' ' 109' ' ' LEU . 65.8 mtp180 -107.34 53.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' ASP . 50.9 mt -55.29 -58.76 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 115' ' ' LEU . 31.6 m-20 -34.7 -44.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.719 ' HA ' HD12 ' A' ' 120' ' ' LEU . 14.3 mm-40 -73.17 -48.12 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.47 -40.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.499 HG13 HD21 ' A' ' 139' ' ' LEU . 19.1 t -67.77 -44.13 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 117' ' ' GLN . 12.1 mt -62.08 -40.95 97.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -28.58 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.616 ' CB ' HD12 ' A' ' 139' ' ' LEU . 84.7 mt -82.23 -36.37 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -55.45 -13.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -90.19 -56.03 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.5 p -50.87 -27.27 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.46 -28.26 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 t -79.46 -53.87 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.498 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 8.0 mt -58.2 -29.21 65.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.409 ' HG2' HG21 ' A' ' 99' ' ' VAL . 15.9 mm-40 -128.52 85.83 59.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -0.03 6.36 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.664 2.242 . . . . 0.0 112.38 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 133' ' ' LYS . 6.4 ptpp? -107.86 -40.09 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.415 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 4.4 m120 -54.45 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' LYS . 34.4 mtmm -66.09 -37.0 84.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.4 t -40.77 -35.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.415 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 14.3 m-30 -68.49 -57.98 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.95 -40.97 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.1 -43.67 86.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.31 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.616 HD12 ' CB ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -63.63 -32.88 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -74.51 -10.05 59.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -98.7 -24.45 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.8 pt -100.42 -21.75 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 9.1 t -92.66 -28.83 16.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -61.28 146.78 47.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 118.81 5.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.2 t -68.07 -49.15 63.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.4 p -80.94 145.19 31.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -65.12 -63.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m 56.76 44.1 24.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.57 -179.55 52.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -126.12 -179.69 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 m -134.0 -66.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.5 134.44 5.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtt -120.08 -179.52 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.1 m -115.76 129.48 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.95 -35.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 p -38.76 142.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.4 -179.01 23.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.65 -128.55 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.655 HG23 ' HD2' ' A' ' 16' ' ' PRO . 74.5 m -151.04 139.09 12.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.578 0.704 . . . . 0.0 111.167 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.655 ' HD2' HG23 ' A' ' 15' ' ' THR . 54.3 Cg_endo -69.69 172.98 11.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 16' ' ' PRO . 13.3 mp0 -158.99 158.11 28.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.64 0.733 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -177.48 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.628 2.218 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -140.36 147.96 51.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.7 6.41 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.33 51.81 11.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 t -129.87 141.3 41.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.22 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.297 . . . . 0.0 112.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.14 -148.08 17.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.02 98.96 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 111.09 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.487 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.9 m -128.34 -37.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.7 m -62.62 127.71 32.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.981 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.1 p -57.94 -35.91 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.09 -39.73 63.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 32' ' ' ARG . 48.7 tt0 -86.74 -66.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.58 -32.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.84 HH21 HG22 ' A' ' 28' ' ' VAL . 6.2 ttm180 -35.01 -56.4 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -46.14 -42.37 13.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 7.6 tp10 -44.71 -47.45 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.03 -50.03 14.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -48.45 -56.85 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.35 -44.41 16.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 46' ' ' GLY . 12.9 mt -63.77 -29.59 70.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -75.35 -54.68 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -58.88 -10.71 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 t -103.77 -23.71 13.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.49 -29.74 6.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.07 96.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -81.67 -51.88 7.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.1 -36.05 9.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.486 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -82.68 -56.41 2.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.9 -44.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.345 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.494 HD21 ' NH1' ' A' ' 71' ' ' ARG . 2.1 tm? -61.03 -47.91 84.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.16 -54.99 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.36 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -54.24 -41.46 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.7 m -53.7 -54.2 41.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ALA . 7.4 mt-30 -50.0 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.981 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -37.55 -51.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.92 -42.76 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -44.53 23.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD11 ' O ' ' A' ' 26' ' ' SER . 59.2 mt -71.35 155.83 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.2 83.29 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.715 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -101.25 160.16 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -43.35 154.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.28 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -87.68 -33.07 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.69 -45.63 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 67' ' ' LEU . 12.6 mt-30 -46.23 -62.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' GLN . . . -37.1 -46.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.9 t -57.22 -40.7 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 64' ' ' GLN . 9.6 mt -71.79 -40.55 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -56.82 -58.31 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -51.08 -35.31 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' ARG . 57.9 m-20 -63.6 -57.94 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' NH1' HD21 ' A' ' 48' ' ' LEU . 66.9 mtp85 -37.1 -53.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.6 -53.45 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -45.77 -48.08 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -54.76 -52.91 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -59.81 -53.86 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.7 mt -43.39 -47.11 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -69.26 -33.38 73.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.5 mt -87.04 42.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.1 mt-10 37.01 36.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -121.35 45.72 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 111' ' ' LYS . 35.1 m-85 -53.52 -43.48 68.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 112' ' ' LEU . 4.8 m-20 -37.09 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' ALA . 13.5 mtpp -61.03 -51.0 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.25 -53.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' OE2' HD23 ' A' ' 109' ' ' LEU . 4.2 tt0 -44.34 -60.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.414 HG22 ' HE2' ' A' ' 90' ' ' LYS . 94.9 m -52.0 -49.08 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.61 -50.74 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.32 -50.84 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.6 p -50.56 -45.73 57.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HE2' HG22 ' A' ' 86' ' ' THR . 26.0 mttm -50.72 -43.19 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.76 -31.69 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.52 -51.33 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.79 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -44.16 -61.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -108.31 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.74 -43.38 1.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.48 ' CA ' HD21 ' A' ' 128' ' ' LEU . . . -101.4 59.98 0.61 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.33 91.83 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.514 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 1.5 m -59.94 -39.95 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 27.3 mmtp -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.61 -46.09 20.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.36 -45.66 62.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -57.89 -33.86 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -74.88 -49.53 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -47.08 -57.61 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.6 p -44.7 -49.1 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -44.62 -49.79 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.96 -53.76 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.459 HD23 ' OE2' ' A' ' 85' ' ' GLU . 56.3 mt -43.58 -55.26 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -50.94 -44.41 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.523 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 7.6 mptt -63.68 -46.76 84.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 82' ' ' ASP . 29.5 mt -62.65 -28.94 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 126.38 -22.14 5.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.57 89.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -79.13 -65.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -40.28 -35.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -65.49 -49.14 70.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.02 -38.17 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.458 HG22 HG13 ' A' ' 142' ' ' ILE . 44.8 t -65.11 -53.43 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.32 -41.25 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.6 -48.66 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.57 -50.04 74.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -39.31 -40.61 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 127' ' ' SER . 71.3 mtt180 -60.51 -48.41 81.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 62.1 m -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.37 -36.75 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.6 t -58.34 -58.07 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.514 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.0 mp -61.17 -34.71 75.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.436 ' HG3' HG11 ' A' ' 99' ' ' VAL . 12.6 mt-10 -124.55 89.43 52.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 52.9 Cg_endo -69.83 3.06 3.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.3 OUTLIER -114.95 -44.44 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.574 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 2.0 t-20 -36.19 115.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -87.87 -27.43 22.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -55.86 -33.19 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 9.9 m-30 -75.1 -44.31 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -61.03 -43.75 98.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 5.5 pt-20 -66.91 -37.89 85.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.65 84.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 141' ' ' ASN . 3.7 tp -67.89 -63.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -39.53 -26.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 139' ' ' LEU . 62.6 m-20 -68.03 -62.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.483 ' CG1' ' N ' ' A' ' 143' ' ' SER . 6.5 pt -75.77 -46.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.483 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 26.1 t -49.54 -43.05 45.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.34 176.8 15.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 157.74 59.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.5 t -135.3 129.58 33.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.1 m 47.28 41.33 11.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.534 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -104.3 -50.21 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t 69.43 44.41 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.05 174.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -122.79 -67.45 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -169.81 -176.87 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.66 -156.8 19.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.5 mtt -151.64 127.16 10.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -112.02 129.06 56.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.44 126.54 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.8 m -133.19 170.37 15.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.75 81.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -167.01 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.16 172.47 45.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 t -168.4 144.47 3.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 111.133 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -175.12 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -134.66 145.99 57.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.604 0.716 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 166.93 26.0 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -95.72 135.84 22.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 176.24 7.04 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.95 106.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 t -171.63 140.65 1.21 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.586 0.708 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.46 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.57 81.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.22 116.91 32.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' SER . 15.7 m -59.71 -11.78 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' SER . 57.5 m -34.97 140.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -48.97 -43.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.33 -30.38 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.5 tt0 -90.6 -69.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -39.57 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -44.46 -44.46 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -57.41 -42.96 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -46.41 -43.1 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.84 -60.92 5.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -52.91 -57.86 8.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -40.38 -44.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.1 mt -69.96 -31.74 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' ASN . 17.4 t80 -70.39 -50.95 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.4 ptpt -61.19 -8.93 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.96 -20.42 13.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.0 -36.13 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -51.66 93.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -80.06 -45.44 18.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.16 -31.21 11.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.34 -54.55 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.84 -41.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.98 -43.01 79.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.97 -46.02 71.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.97 72.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -54.76 -35.94 64.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -57.08 -56.6 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.79 -48.73 72.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -43.86 -51.86 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.1 -41.1 95.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.39 -41.0 47.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.6 mt -77.52 143.64 38.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 6.0 p-10 -67.69 88.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.967 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -106.29 171.52 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.61 158.68 4.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.99 33.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -88.35 -26.11 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.506 ' O ' HD12 ' A' ' 67' ' ' LEU . 11.3 m-20 -84.05 -31.64 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 15.6 mt-30 -60.74 -32.47 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . . . -76.8 -67.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ALA . 12.1 p -37.15 -29.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 63' ' ' ASP . 12.9 mt -82.41 -47.27 12.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 6.8 m80 -53.1 -49.02 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 69' ' ' ARG . 6.5 ppt_? -65.82 -23.23 66.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -79.5 -49.64 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -41.31 -50.58 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.41 -47.97 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.58 -66.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.51 -48.57 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -59.47 -53.37 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.3 mt -44.92 -49.09 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -64.43 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.6 mt -94.61 43.84 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' LEU . 24.6 mt-10 36.8 43.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -119.53 42.55 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.9 m-85 -56.27 -39.12 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -56.76 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -72.29 -31.7 65.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -57.37 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 10.3 tm-20 -39.75 -53.27 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.5 m -54.13 -67.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -36.77 -40.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . -56.91 -50.65 71.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -64.03 -34.16 77.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -79.52 -44.48 21.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.428 HG13 ' HB3' ' A' ' 101' ' ' ALA . 33.7 mt -59.58 -45.77 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.49 -37.05 86.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -59.18 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -81.09 -56.82 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 87.2 24.15 38.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.12 25.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -111.1 132.56 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.913 ' HA ' HD12 ' A' ' 102' ' ' LEU . 11.1 m -91.12 -27.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -42.94 -48.06 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB3' HG13 ' A' ' 92' ' ' ILE . . . -68.27 -49.78 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 99' ' ' VAL . 13.8 mt -44.41 -56.01 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -56.6 -39.72 74.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -63.42 -45.76 89.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -51.77 -54.43 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 p -47.75 -48.65 29.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -51.12 -32.22 21.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.43 -42.62 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.3 mt -53.92 -47.54 71.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.52 -57.69 11.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -53.5 -43.2 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.39 -23.59 66.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.81 -5.98 18.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -89.19 82.76 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.6 mt -75.98 -53.17 8.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.25 -45.17 23.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.743 ' HA ' HD12 ' A' ' 120' ' ' LEU . 14.5 mm-40 -63.46 -53.2 55.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLN . . . -35.55 -46.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.517 HG13 HD11 ' A' ' 139' ' ' LEU . 39.2 t -62.77 -42.7 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 117' ' ' GLN . 24.0 mt -59.89 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.48 -34.33 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 124' ' ' ARG . 32.1 mt -73.14 -43.87 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -43.67 -23.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 122' ' ' LEU . 68.0 mtt-85 -84.2 -56.62 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 29.7 p -51.17 -21.3 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.2 t -84.15 -30.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.4 t -77.01 -40.5 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.492 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -68.48 -27.79 66.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 64.2 mm-40 -133.31 96.62 17.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.9 Cg_endo -69.77 -33.16 17.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -76.04 -42.62 47.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.52 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.6 m120 -51.39 102.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 136' ' ' GLN . 32.9 mttp -79.12 -38.56 35.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 73.8 t -42.61 -27.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 21.9 m-85 -83.68 -35.72 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' LYS . 30.7 mt-30 -75.22 -33.27 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.492 ' OE2' ' HB2' ' A' ' 138' ' ' ALA . 0.3 OUTLIER -71.56 -34.67 70.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.492 ' HB2' ' OE2' ' A' ' 137' ' ' GLU . . . -73.7 -26.58 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.517 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -70.17 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -70.28 -24.51 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 137' ' ' GLU . 44.2 m-20 -65.36 -38.66 90.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.3 pt -96.85 -30.32 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 20.4 t -58.44 -40.43 82.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -108.98 -179.06 21.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 88.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.635 2.224 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 35.6 t -53.67 -53.96 44.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 98.1 p 41.81 42.75 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.522 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -136.48 177.03 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 p -168.68 168.97 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.59 -158.29 10.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -165.22 177.21 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -144.81 176.03 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.96 -161.7 9.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 mtt -152.78 165.88 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 10' ' ' VAL . 36.7 m -145.87 158.34 43.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.48 ' N ' HG22 ' A' ' 9' ' ' THR . 71.4 t -134.8 132.67 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.7 p -128.23 176.57 7.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.94 145.7 11.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -168.69 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.6 -145.74 4.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 15' ' ' THR . 8.9 t -155.39 121.34 2.62 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.581 0.705 . . . . 0.0 111.143 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 179.05 3.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -137.29 144.08 44.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 165.52 30.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -107.13 149.92 39.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.62 0.724 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.29 5.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.06 152.04 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -173.33 141.58 0.93 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.71 . . . . 0.0 111.119 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 95.06 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.314 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.83 -89.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.64 40.32 16.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -129.17 -41.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLN . 49.2 m -69.03 120.59 15.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.009 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.4 p -42.46 -37.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 17.4 tt0 -71.12 -38.35 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.9 tp60 -81.18 -68.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -40.74 -29.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' NH1' ' O ' ' A' ' 29' ' ' GLU . 3.1 ttp-105 -38.32 -50.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -50.89 -42.32 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.6 tp10 -46.76 -48.81 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.95 -60.8 8.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 39' ' ' PHE . 64.5 m-80 -53.76 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' ASN . 17.7 mt-10 -37.77 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD13 ' C ' ' A' ' 46' ' ' GLY . 40.3 mt -84.02 -38.43 20.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' ASN . 33.0 t80 -65.92 -53.18 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.23 -11.89 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 t -105.48 -21.44 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' TYR . . . 117.36 -38.31 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.88 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' GLY . 29.3 m-85 -82.42 -46.5 13.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.19 -36.47 15.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.453 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -88.26 -51.69 3.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.31 -50.31 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.679 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.1 tm? -57.39 -52.52 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.21 -54.19 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.51 -51.24 49.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -54.42 -41.39 69.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -56.67 -43.25 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -61.65 -58.51 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.009 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -44.63 -51.42 9.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.6 mt -61.03 -29.13 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.1 33.79 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' ALA . 58.4 mt -145.32 144.51 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.96 82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -108.93 164.45 12.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.47 158.54 20.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -86.93 -21.1 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 67' ' ' LEU . 1.2 m-20 -92.22 -32.36 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 43.0 mt-30 -61.23 -29.18 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -79.59 -66.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 10.0 p -36.94 -32.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 63' ' ' ASP . 11.0 mt -71.68 -45.44 61.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ALA . 20.9 m-70 -56.04 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 66' ' ' VAL . 21.7 ptt85 -51.38 -23.75 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 59.1 m-20 -81.11 -51.16 8.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.636 ' HE ' HD21 ' A' ' 48' ' ' LEU . 64.5 mtp180 -45.47 -52.11 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.82 -47.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -48.45 -62.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.9 m -46.5 -54.69 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.596 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 46.7 m-70 -51.22 -58.46 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.791 HD21 ' HB2' ' A' ' 108' ' ' ALA . 14.3 mt -45.79 -42.63 12.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -69.35 -44.66 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.6 mt -79.91 44.22 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.4 tt0 36.47 36.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -117.0 45.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.464 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 23.6 m-85 -60.66 -34.98 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.63 -63.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -72.37 -41.64 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . . . -41.86 -52.07 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' OE1' ' CD1' ' A' ' 112' ' ' LEU . 4.9 tt0 -48.05 -60.12 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.8 m -45.31 -52.62 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -43.73 -65.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' SER . . . -41.58 -61.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.431 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . 1.6 t -37.01 -51.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -56.36 -51.81 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.59 -54.7 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.88 -24.62 20.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.49 -33.04 19.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 20.9 mmtt -52.51 -45.53 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -112.6 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.74 -39.61 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.42 42.64 1.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.45 92.6 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.932 HG13 HD22 ' A' ' 128' ' ' LEU . 3.7 m -76.73 -15.21 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -63.45 -47.4 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.63 -30.69 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.894 HD12 ' HA ' ' A' ' 99' ' ' VAL . 37.2 mt -59.44 -51.23 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.63 -40.25 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -75.35 -31.21 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 85' ' ' GLU . 10.3 ttm-85 -58.47 -49.0 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -53.08 -46.37 68.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -48.16 -47.65 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.791 ' HB2' HD21 ' A' ' 76' ' ' LEU . . . -67.93 -53.6 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.669 HD23 ' HD3' ' A' ' 114' ' ' ARG . 12.0 mt -46.8 -46.17 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -50.95 -55.21 18.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 5.9 tptm -51.12 -27.15 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.445 ' CD1' ' OE1' ' A' ' 85' ' ' GLU . 31.4 mt -94.31 28.66 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 52.88 15.2 3.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.669 ' HD3' HD23 ' A' ' 109' ' ' LEU . 27.0 mtp85 -91.53 48.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -60.56 -34.34 74.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -32.01 71.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.484 ' HA ' HD12 ' A' ' 120' ' ' LEU . 6.8 mp0 -83.67 -44.63 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.526 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -41.08 -42.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.494 HG13 HD11 ' A' ' 139' ' ' LEU . 77.6 t -66.62 -43.3 90.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 117' ' ' GLN . 13.9 mt -64.47 -36.36 83.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.02 -20.94 51.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 124' ' ' ARG . 21.9 mt -84.28 -52.72 6.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -38.64 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 122' ' ' LEU . 81.3 mtt180 -73.18 -56.3 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.9 p -53.78 -20.26 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.7 t -81.24 -38.52 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.9 t -61.61 -60.34 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.932 HD22 HG13 ' A' ' 99' ' ' VAL . 2.1 mp -48.87 -46.12 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.43 ' HB3' ' CG ' ' A' ' 132' ' ' ASN . 5.6 mm-40 -111.57 94.51 23.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.86 32.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' LYS . 40.8 mmtm -90.55 -46.57 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.43 ' CG ' ' HB3' ' A' ' 129' ' ' GLU . 4.8 m-20 -39.73 96.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -75.58 -21.42 57.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.6 -29.73 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -81.62 -55.25 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -50.35 -35.33 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -31.43 56.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.67 -27.14 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.494 HD11 HG13 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -71.67 -49.67 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -69.58 -17.05 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.17 -37.49 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 118' ' ' ALA . 10.7 pt -96.44 -19.95 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.9 t -75.85 -32.56 59.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.63 154.67 16.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.69 112.95 3.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 99.8 p -122.94 157.12 33.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 43.5 t -88.84 103.91 16.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -76.61 159.28 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.7 p -155.4 173.97 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.83 -70.25 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 38.54 42.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -91.47 144.02 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.53 145.64 12.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 tpt -92.09 150.97 20.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -127.73 109.69 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 10' ' ' VAL . 35.1 m -90.95 123.53 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -52.01 144.91 11.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.56 89.6 0.56 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 133.22 25.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.92 58.5 0.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.8 p -139.17 149.03 59.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 161.49 45.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -83.34 144.45 46.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.648 0.737 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 153.64 68.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -41.6 154.68 0.24 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 129.4 17.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.94 -177.58 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -161.66 141.45 7.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 170.64 16.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.3 -49.08 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.97 27.03 5.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -86.12 46.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLN . 60.0 m -96.45 121.2 38.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.054 HG23 ' HB1' ' A' ' 54' ' ' ALA . 7.2 p -38.58 -33.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.57 -41.79 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.6 tp-100 -88.67 -63.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.635 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -39.86 -35.65 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' LEU . 23.1 ttt85 -34.5 -48.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -47.88 64.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.5 tp10 -40.67 -39.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.88 -61.34 5.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' PHE . 11.5 m-20 -55.97 -56.35 21.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -39.2 -44.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.64 -34.32 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 36' ' ' ASN . 23.9 t80 -67.43 -53.31 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -58.11 -11.59 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.73 -26.55 12.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.27 -38.15 2.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.86 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.28 -52.97 6.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -34.01 5.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -84.85 -55.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.1 -49.23 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.594 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.1 tm? -57.19 -57.72 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.15 -52.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.94 -51.06 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -54.14 -42.98 70.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.7 m -50.13 -55.14 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.97 -59.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.054 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -46.78 -50.28 18.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.653 HD12 ' HD2' ' A' ' 71' ' ' ARG . 14.8 mt -62.67 -40.47 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.73 -45.62 68.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.499 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.0 163.53 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.53 41.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.742 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -53.08 167.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -53.75 157.21 4.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.67 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.16 32.23 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.65 2.234 . . . . 0.0 112.311 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -92.57 -32.69 14.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -80.98 -25.6 37.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.537 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 32.7 mt-30 -64.76 -31.5 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -75.8 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 67' ' ' LEU . 7.3 p -42.39 -44.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' N ' HG13 ' A' ' 66' ' ' VAL . 18.8 mt -63.29 -39.45 94.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 33.1 m-70 -61.02 -61.36 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -54.25 -30.64 51.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -69.96 -47.35 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.653 ' HD2' HD12 ' A' ' 55' ' ' LEU . 33.1 mtp180 -48.97 -49.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -34.74 -44.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.1 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.3 m -42.76 -48.63 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.47 ' CE1' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-70 -66.65 -51.9 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 81' ' ' TYR . 39.0 mt -46.7 -41.67 15.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -73.99 -39.36 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 79' ' ' GLU . 11.3 mt -84.53 44.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tt0 35.72 46.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.412 ' OD2' ' ND1' ' A' ' 75' ' ' HIS . 35.6 t0 -127.91 37.73 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 111' ' ' LYS . 31.2 m-85 -44.81 -47.79 10.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -34.97 -63.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 14.0 mtpp -57.57 -44.7 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 81' ' ' TYR . . . -46.3 -57.83 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -38.65 -50.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.402 HG22 ' HE2' ' A' ' 90' ' ' LYS . 20.4 m -60.64 -64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -43.29 -25.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 105' ' ' ARG . . . -82.9 -46.5 12.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.0 t -65.25 -21.17 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HE2' HG22 ' A' ' 86' ' ' THR . 0.5 OUTLIER -89.2 -40.63 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.18 -57.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -52.9 -34.85 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 13.6 mmtp -56.65 -40.19 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -103.26 -64.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.78 -54.9 0.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -118.07 55.45 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.98 91.49 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.723 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.6 m -59.0 -41.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 99' ' ' VAL . 19.5 mttp -34.61 -48.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.01 75.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 99' ' ' VAL . 13.5 mt -50.13 -55.47 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -50.25 -44.5 53.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -64.47 -48.91 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 61.6 ttt180 -51.63 -52.11 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.532 ' HA ' HD12 ' A' ' 109' ' ' LEU . 55.0 p -47.19 -48.52 23.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.4 -39.86 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.78 -44.19 61.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 106' ' ' SER . 72.7 mt -53.97 -57.79 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.03 -38.76 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 11.0 mmtm -71.96 -49.63 35.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.3 -27.5 65.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.36 38.15 2.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -119.44 42.06 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.6 mt -42.46 -45.1 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -52.12 -41.66 62.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 120' ' ' LEU . 13.1 mm-40 -77.63 -42.64 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.23 -36.26 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.682 HG13 HD11 ' A' ' 139' ' ' LEU . 44.2 t -72.29 -38.95 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 117' ' ' GLN . 16.8 mt -67.41 -41.47 84.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.53 -41.42 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 142' ' ' ILE . 37.3 mt -71.92 -46.33 58.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -42.46 -39.79 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' SER . 33.7 mtt180 -65.44 -51.02 63.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 89.0 m -39.99 -40.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.66 -39.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 124' ' ' ARG . 23.3 t -62.5 -56.63 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.491 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 12.5 mt -63.22 -38.31 90.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -121.33 92.23 48.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.03 24.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 18.7 pttm -78.98 -45.07 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.581 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 5.5 m120 -47.6 104.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -83.16 -35.72 25.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 135' ' ' PHE . 16.6 m -46.39 -23.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.4 m-85 -83.42 -40.78 18.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -68.8 -32.8 72.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -35.32 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.89 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.682 HD11 HG13 ' A' ' 119' ' ' VAL . 23.9 tp -68.22 -66.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 139' ' ' LEU . 13.3 ptt180 -34.88 -36.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 139' ' ' LEU . 69.4 m-20 -57.0 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.584 HG13 HG22 ' A' ' 119' ' ' VAL . 8.2 pt -84.92 -49.23 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.493 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 13.2 t -60.48 -50.02 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 103.42 -158.47 17.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 114.74 3.81 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 14.6 t -117.27 123.74 47.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.1 p -131.6 -43.27 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 p -158.31 125.18 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -171.29 149.78 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.45 110.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -141.94 147.36 36.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -171.12 132.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.59 90.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.2 mmm -150.81 168.18 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -165.38 145.55 6.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.0 t -128.72 127.55 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.9 m -139.67 166.66 24.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.77 83.1 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 172.87 11.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.08 149.47 15.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 83.0 m -160.84 131.8 3.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 111.139 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.32 3.78 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -134.67 143.94 48.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.97 20.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -149.5 144.29 17.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 140.01 41.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' THR . . . -146.16 175.05 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' ALA . 9.9 t -36.82 141.89 0.37 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.71 23.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.633 2.222 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.6 43.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.501 ' HB3' ' OE1' ' A' ' 30' ' ' GLN . . . -116.55 111.13 19.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -82.18 45.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.0 m -88.84 129.83 35.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.976 HG23 ' HB1' ' A' ' 54' ' ' ALA . 7.3 p -38.3 -37.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 1.9 pp20? -70.78 -46.63 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.501 ' OE1' ' HB3' ' A' ' 25' ' ' ALA . 5.6 tt0 -83.05 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -36.43 -34.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.697 HH21 HG22 ' A' ' 28' ' ' VAL . 5.9 ttm180 -34.13 -53.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 1.2 mppt? -48.88 -44.6 40.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.663 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 10.2 tt0 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.42 -60.46 4.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -52.94 -56.23 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 40' ' ' LYS . 32.5 mt-10 -41.06 -48.92 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.5 mt -68.88 -39.12 79.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.41 -56.62 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 37' ' ' GLU . 12.7 pttm -64.69 -5.69 6.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.3 t -104.62 -11.74 16.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -17.37 56.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.8 87.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -79.39 -48.09 14.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.39 6.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.03 -38.93 5.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.2 -38.51 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD21 ' HE ' ' A' ' 71' ' ' ARG . 2.5 tm? -66.76 -40.05 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.31 76.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.663 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -57.96 -48.65 79.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB3' ' CD ' ' A' ' 71' ' ' ARG . 17.3 m-85 -54.78 -40.86 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -56.27 -50.94 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.8 mt-30 -53.33 -59.5 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.976 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -37.14 -54.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.16 -37.44 87.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -55.5 -36.55 64.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 28' ' ' VAL . 61.1 mt -78.97 146.92 33.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.09 79.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -94.94 160.71 14.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p -45.75 157.95 0.36 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.85 31.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -94.16 -27.61 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 66' ' ' VAL . 26.6 m-20 -79.7 -36.3 37.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.461 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 19.8 mt-30 -54.58 -31.18 56.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -75.71 -70.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 63' ' ' ASP . 11.6 p -36.9 -29.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ALA . 54.1 mt -77.13 -45.18 27.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.655 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 43.0 m-70 -53.2 -57.54 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -52.55 -27.89 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -78.63 -49.44 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' HE ' HD21 ' A' ' 48' ' ' LEU . 32.2 mmm-85 -49.03 -47.11 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -48.01 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.07 -67.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.32 -52.38 4.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.522 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 6.3 m-70 -53.67 -65.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 81' ' ' TYR . 10.5 mt -40.63 -33.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.11 -39.47 25.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' HIS . 9.6 mt -89.31 46.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.6 mp0 37.18 54.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -132.48 33.54 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.591 ' HD2' HD23 ' A' ' 76' ' ' LEU . 15.1 m-85 -47.2 -46.93 24.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' TYR . 5.2 m-20 -37.12 -62.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.522 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 20.4 mtpp -63.78 -49.23 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.457 ' CB ' ' HG ' ' A' ' 76' ' ' LEU . . . -42.14 -52.51 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' OE2' ' NH1' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -43.68 -47.78 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.0 m -72.33 -34.12 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 16.2 mt-10 -64.93 -27.4 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.28 -45.81 12.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -64.74 -17.08 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.502 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 18.0 ptpt -92.09 -31.77 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.655 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -75.94 -25.9 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.4 mt -75.69 -56.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -50.2 -35.72 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -66.79 -57.26 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -72.84 -66.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.53 26.89 23.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.66 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -119.28 89.38 3.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.704 ' HA ' HD12 ' A' ' 102' ' ' LEU . 17.6 m -56.55 -35.09 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.14 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -51.1 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 99' ' ' VAL . 18.9 mt -40.0 -50.6 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.56 -44.64 93.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt-85 -60.97 -38.47 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.428 ' NH1' ' OE2' ' A' ' 85' ' ' GLU . 19.7 ttt85 -60.63 -56.83 16.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.4 p -44.77 -47.69 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.05 -42.31 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -73.58 -57.36 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' ALA . 86.9 mt -36.89 -50.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' HA ' HD23 ' A' ' 115' ' ' LEU . 10.6 mt-10 -55.09 -47.27 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 2.6 mptp? -67.36 -25.26 65.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.2 mt -85.52 6.27 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.25 -1.58 84.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -93.79 83.35 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 110' ' ' GLU . 54.0 mt -83.27 -39.21 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.3 87.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.29 -51.86 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.588 ' O ' HD12 ' A' ' 122' ' ' LEU . . . -39.66 -42.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.404 ' CG2' HD11 ' A' ' 142' ' ' ILE . 43.4 t -65.61 -50.8 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.71 -61.55 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.78 -31.55 11.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 118' ' ' ALA . 20.3 mt -74.98 -49.37 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -38.86 -26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 122' ' ' LEU . 51.4 mtt-85 -77.74 -54.8 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.2 p -47.8 -22.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -81.16 -40.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 t -60.04 -56.61 19.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.493 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.1 mt -58.08 -39.83 79.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -117.86 85.93 23.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.49 33.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -83.28 -59.16 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.542 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.7 t-20 -34.45 120.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -25.52 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.463 ' HA ' ' CG ' ' A' ' 137' ' ' GLU . 77.0 t -55.12 -26.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 22.7 m-85 -78.49 -50.14 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.32 -40.78 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 134' ' ' VAL . 1.0 OUTLIER -65.97 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.62 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -57.39 -50.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -69.5 -19.14 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -73.63 -19.99 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.404 HD11 ' CG2' ' A' ' 119' ' ' VAL . 14.3 pt -115.24 -26.15 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 t -71.63 -35.92 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 112.44 -172.07 14.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 146' ' ' SER . 53.7 Cg_endo -69.76 149.75 67.28 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 145' ' ' PRO . 14.2 t -38.41 124.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.7 p -65.02 -39.5 93.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -150.51 147.5 27.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -104.86 145.56 30.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.97 170.49 42.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 m -156.53 173.79 16.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -152.29 178.51 9.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.26 -158.13 7.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -171.66 159.1 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.2 p -148.01 149.01 31.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -147.38 148.84 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 t -173.68 174.43 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.32 65.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.67 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.86 136.14 12.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 47.3 m -151.91 130.79 6.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.583 0.706 . . . . 0.0 111.113 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.44 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.736 2.291 . . . . 0.0 112.34 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -133.79 152.95 79.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.617 0.723 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -170.27 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.53 122.67 56.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.387 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.47 43.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -167.83 130.26 1.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 108.86 2.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.295 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.39 39.59 0.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.05 100.55 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -96.29 44.15 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t -74.15 137.0 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.005 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.6 p -38.95 -39.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.3 -51.58 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -66.43 -70.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -39.16 -35.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' LEU . 6.5 ttp85 -35.17 -50.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -47.77 -49.01 29.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.479 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 6.3 tt0 -43.8 -44.58 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.05 -63.46 5.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' C ' ' HE2' ' A' ' 40' ' ' LYS . 55.6 m-80 -57.32 -56.84 16.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 86.3 mt-10 -44.76 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -74.46 -31.76 62.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.9 t80 -71.92 -49.64 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 1.1 ptpm? -62.61 -7.6 5.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.9 t -107.25 -17.49 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.77 -36.31 4.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.26 92.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -81.94 -53.21 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.9 -27.26 4.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.99 -55.57 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.32 -39.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.603 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.3 tm? -68.11 -48.96 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.91 -47.82 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -54.04 -50.39 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -54.82 -36.34 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.8 m -57.18 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -49.74 -56.43 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.005 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -45.1 -55.66 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.0 mt -56.93 -37.14 71.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.92 -46.1 84.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 28' ' ' VAL . 82.2 mt -67.17 152.68 45.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.67 75.74 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.458 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -88.59 164.81 15.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.79 159.12 1.41 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -11.92 31.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -94.23 -25.53 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.15 -28.39 25.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.47 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 22.2 mt-30 -63.74 -31.35 72.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -76.14 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 8.3 p -39.54 -35.71 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.5 mt -74.0 -37.82 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ALA . 32.4 m-70 -60.5 -57.71 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 2.4 ptt-85 -56.98 -23.76 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.429 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 93.2 m-20 -75.13 -49.1 20.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.603 ' HE ' HD21 ' A' ' 48' ' ' LEU . 28.5 mtp180 -43.44 -55.6 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.37 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -48.68 -57.42 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.0 m -54.12 -49.61 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 62.1 m-70 -54.27 -52.67 60.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 81' ' ' TYR . 78.0 mt -46.96 -46.56 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -68.76 -31.23 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 13.1 mt -95.84 40.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 10.9 tt0 36.4 42.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 83.8 m-20 -114.52 31.53 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.621 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 51.1 m-85 -42.1 -52.21 4.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' TYR . 3.4 m-20 -34.36 -57.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.8 -49.92 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.21 -50.91 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.37 -55.93 13.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -56.75 -45.16 82.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.03 -57.13 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 91' ' ' ALA . . . -45.14 -57.71 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 92' ' ' ILE . 29.7 t -43.44 -47.79 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -59.66 -32.96 70.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 88' ' ' ALA . . . -73.52 -18.31 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 89' ' ' SER . 64.3 mt -87.38 -54.39 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.7 -25.11 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -55.69 -60.02 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.42 -52.95 3.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.35 -48.43 0.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.47 55.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.31 102.76 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 12.1 m -70.96 -37.81 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -33.91 -41.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.54 -42.54 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 99' ' ' VAL . 10.3 mt -54.04 -46.55 71.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.36 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -67.67 -31.46 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -69.26 -53.91 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 p -47.8 -22.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -71.9 -49.5 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.39 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.95 -56.65 19.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.519 ' HA ' HD23 ' A' ' 115' ' ' LEU . 25.9 mt-10 -53.97 -39.37 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.621 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -56.01 -43.11 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.6 mt -79.29 8.02 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.39 -23.55 31.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -64.4 78.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 110' ' ' GLU . 60.0 mt -81.7 -41.45 21.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.97 -43.8 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.621 ' HA ' HD12 ' A' ' 120' ' ' LEU . 23.5 mp0 -61.72 -53.7 52.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.444 ' HB2' ' HG3' ' A' ' 110' ' ' GLU . . . -41.4 -44.41 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.46 -55.04 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 117' ' ' GLN . 9.0 mt -51.62 -60.08 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.55 -43.88 35.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.59 -48.51 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -40.3 -35.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -66.67 -50.24 63.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 56.2 m -45.93 -49.41 15.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.89 -24.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -81.01 -44.57 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.497 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -77.55 -25.77 50.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -129.62 87.84 51.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.14 34.24 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -93.95 -46.44 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.516 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 8.6 m120 -50.15 98.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -73.63 -33.25 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 135' ' ' PHE . 34.5 m -47.75 -26.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.516 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 17.4 m-85 -79.01 -48.06 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.86 -32.02 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.26 -37.67 32.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.2 -24.36 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.433 ' O ' HD13 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -71.44 -53.96 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -69.43 -22.88 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -61.67 -38.54 88.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 13.7 pt -100.06 -27.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.9 t -66.64 -35.58 80.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -47.21 149.17 2.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -19.89 35.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.3 m -50.13 149.01 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 99.5 p -86.56 152.61 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.487 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -158.07 176.02 13.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -148.58 171.62 15.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.8 -157.62 8.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -131.76 170.91 14.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -137.18 176.77 8.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.26 170.99 30.94 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -173.62 128.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.2 m -158.18 125.18 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.25 145.16 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -166.7 157.2 12.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.66 147.67 14.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -175.96 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 149.62 125.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 15' ' ' THR . 8.8 t -120.39 75.93 24.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.596 0.713 . . . . 0.0 111.15 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 173.33 11.18 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -88.11 152.01 49.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 92.97 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -126.0 161.08 53.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 112.75 3.15 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.391 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -150.61 -175.34 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 10.0 t -122.84 49.53 2.39 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.597 0.713 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 22' ' ' THR . 53.5 Cg_endo -69.76 157.45 60.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.89 -173.55 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.49 25.63 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.504 ' O ' HD11 ' A' ' 57' ' ' LEU . 46.0 p -99.8 -41.09 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 m -53.78 124.09 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.647 HG23 ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -48.97 -50.38 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -45.6 -45.76 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -73.01 -72.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -37.23 -37.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -35.96 -43.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -58.15 -46.05 86.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 12.8 tt0 -43.51 -44.93 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.94 -61.78 6.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' PHE . 91.3 m-20 -55.35 -54.98 36.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.33 -39.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.87 -30.83 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -65.82 -50.32 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -59.4 -10.42 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.6 t -103.21 -25.96 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.46 -34.1 4.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -49.65 94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -79.03 -44.77 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.62 -37.83 34.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -83.66 -58.86 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.23 -49.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.651 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.2 tm? -57.74 -54.58 45.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.73 -55.57 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -48.99 -50.58 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 20.5 m-85 -55.2 -42.79 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -48.46 -56.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -53.81 -53.98 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -42.16 -58.06 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.23 -42.56 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.36 -48.07 49.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.504 HD11 ' O ' ' A' ' 26' ' ' SER . 44.1 mt -65.85 151.98 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.31 78.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.94 21.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.08 159.99 12.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.11 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.48 14.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -94.95 -38.95 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -34.06 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -48.88 -54.31 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.66 -57.43 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.3 t -48.49 -44.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.89 -50.98 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.645 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . 40.0 m-70 -55.58 -60.23 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -46.21 -33.36 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 15.4 m-80 -76.39 -43.86 38.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.651 ' HE ' HD21 ' A' ' 48' ' ' LEU . 35.1 mtp180 -51.29 -60.19 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -37.86 -40.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -50.08 -58.78 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.8 m -48.99 -46.57 44.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -58.98 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.6 mt -40.96 -43.24 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -67.67 -44.6 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.61 40.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 42.75 43.53 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -119.64 39.68 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 45.9 m-85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.543 ' HA ' HD11 ' A' ' 112' ' ' LEU . 0.8 OUTLIER -35.93 -60.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mttp -63.97 -51.85 62.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -33.97 -62.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -38.66 -61.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.2 m -58.94 -51.39 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.63 -56.71 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.12 -51.9 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -41.69 -37.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ILE . 41.6 mttt -68.06 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 68' ' ' HIS . . . -43.75 -22.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' LYS . 71.0 mt -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 94' ' ' LYS . 4.2 pt-20 -42.0 -48.31 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 93' ' ' GLU . 0.5 OUTLIER -44.42 -72.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.08 -68.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.42 -36.79 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.02 52.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -109.32 94.43 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 22.6 m -61.4 -32.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.0 -55.58 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.64 91.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 99' ' ' VAL . 4.1 mt -48.44 -60.1 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -43.38 -42.78 4.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -69.98 -43.95 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -47.96 -59.89 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' ' 109' ' ' LEU . 80.8 p -45.15 -49.82 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -45.13 -41.76 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.07 45.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 106' ' ' SER . 19.2 mt -51.15 -55.45 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.513 ' HA ' HD23 ' A' ' 115' ' ' LEU . 11.3 mt-10 -45.6 -43.89 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.554 ' HG3' ' CD2' ' A' ' 81' ' ' TYR . 15.4 mmtm -64.51 -34.58 78.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 82' ' ' ASP . 72.9 mt -87.58 27.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.74 33.12 59.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.4 ' HD2' HD23 ' A' ' 109' ' ' LEU . 83.4 mtt-85 -114.04 47.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 110' ' ' GLU . 28.4 mt -58.67 -39.8 81.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -53.1 -39.78 63.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.466 ' HA ' HD12 ' A' ' 120' ' ' LEU . 24.4 mp0 -81.42 -41.53 21.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.64 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.402 ' HA ' HD11 ' A' ' 142' ' ' ILE . 95.4 t -55.83 -53.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 117' ' ' GLN . 10.4 mt -52.29 -47.81 65.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.484 ' OD2' HD11 ' A' ' 109' ' ' LEU . 6.5 m-20 -59.02 -46.06 89.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 123' ' ' GLN . 29.7 mt -62.75 -46.89 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 122' ' ' LEU . 29.6 mt-30 -36.28 -48.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -56.11 -47.98 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 69.6 m -42.39 -51.4 4.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.15 -33.85 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.5 t -65.63 -60.16 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.486 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 7.1 mt -65.9 -33.05 74.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 23.4 mm-40 -123.45 93.75 47.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 54.0 Cg_endo -69.75 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 132' ' ' ASN . 6.7 mtpm? -59.43 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.595 ' OD1' ' CZ ' ' A' ' 135' ' ' PHE . 1.6 t-20 -33.4 116.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 135' ' ' PHE . 2.4 mppt? -92.08 -47.12 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.528 HG23 ' CD1' ' A' ' 135' ' ' PHE . 30.6 m -35.26 -31.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.595 ' CZ ' ' OD1' ' A' ' 132' ' ' ASN . 15.7 m-30 -72.47 -51.37 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 133' ' ' LYS . 35.5 mt-30 -52.5 -47.63 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -65.98 -31.26 72.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.61 60.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.91 -57.69 6.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -65.21 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -55.76 -37.34 68.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 143' ' ' SER . 30.2 pt -96.74 -30.61 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 142' ' ' ILE . 2.8 t -67.44 -36.04 80.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -81.35 146.52 26.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.02 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 m -45.35 -45.63 12.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -64.76 -48.8 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -155.78 138.09 14.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -99.55 162.19 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.93 -120.43 3.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -160.17 158.03 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -81.48 176.27 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.01 -179.94 16.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.2 mtt -133.03 159.02 41.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.9 p -61.71 176.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -166.48 137.98 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -57.47 174.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.39 148.88 19.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -35.57 12.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.38 158.66 26.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.6 p -110.03 81.32 2.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.543 0.687 . . . . 0.0 111.146 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 177.57 5.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.308 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE1' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -102.87 144.81 29.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 0.0 110.843 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.74 122.1 8.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 19' ' ' ARG . 2.0 mpt_? -66.44 144.0 98.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.604 0.716 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 99.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.59 75.54 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 t -174.05 140.51 0.78 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -39.74 6.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.13 -29.5 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.46 34.14 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 m -116.9 -30.06 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m -76.35 125.06 28.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.5 p -41.68 -38.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.46 -41.48 97.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.3 tp60 -85.81 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLN . 11.8 ttp180 -41.36 -59.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -46.04 -31.58 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 tp10 -49.68 -56.37 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.47 -28.15 52.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.01 -42.99 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 36.9 mt-10 -69.16 -37.09 78.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -87.33 -49.87 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 pttp -63.34 -8.84 9.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 m -106.4 -22.45 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.76 -33.65 4.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.1 94.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.528 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 18.8 m-85 -84.46 -41.09 16.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.26 -32.58 21.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -90.78 -58.69 1.48 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.24 -43.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 71' ' ' ARG . 2.4 tm? -58.27 -47.92 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.41 -47.11 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.99 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -56.35 -44.86 80.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -50.87 -49.06 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.2 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -47.28 -57.15 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.72 -45.01 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.2 -37.91 11.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.9 mt -76.05 159.84 30.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -77.9 48.77 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.646 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -59.79 148.83 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.63 159.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 111.164 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -18.24 37.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -83.28 -27.73 29.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.33 -36.9 24.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -53.14 -49.44 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -49.09 -40.45 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -63.88 -51.41 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 54' ' ' ALA . 7.0 mt -62.05 -24.56 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.681 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 22.2 m-70 -72.67 -48.96 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.67 -26.72 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -80.78 -54.9 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.486 ' CZ ' HD21 ' A' ' 48' ' ' LEU . 1.4 mmm180 -41.02 -46.86 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.75 -40.21 66.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -60.89 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -38.15 -46.12 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' LEU . 8.5 m-70 -62.78 -61.05 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 81' ' ' TYR . 91.6 mt -41.05 -43.04 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 13.4 mptt -71.88 -34.37 69.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' HIS . 18.3 mt -92.64 37.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 45.27 42.61 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.407 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 29.3 m-20 -119.54 39.33 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.449 ' HA ' HD23 ' A' ' 76' ' ' LEU . 25.5 m-85 -51.8 -41.41 61.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.686 ' HA ' HD21 ' A' ' 112' ' ' LEU . 1.1 m-20 -42.69 -63.25 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' ALA . 34.3 mttp -61.46 -50.9 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.81 -55.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -40.26 -49.15 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -64.23 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.6 mm-40 -41.59 -56.08 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -36.89 -59.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 p -49.02 -56.45 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -45.43 -32.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.681 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -73.91 -34.83 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.85 -57.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 12.9 pt-20 -46.8 -47.94 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 22.7 mmtm -40.91 -62.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 5.6 m-20 -90.5 -69.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.93 -49.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.507 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.81 54.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.81 95.61 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 20.9 m -67.33 -15.16 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -51.92 -44.96 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.23 -31.47 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 121' ' ' ASP . 11.1 mt -62.0 -44.98 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.08 -49.07 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -64.25 -24.96 67.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -65.82 -60.97 2.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' ' 109' ' ' LEU . 70.3 p -45.35 -45.86 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.81 -38.62 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.47 -53.55 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 106' ' ' SER . 27.0 mt -46.28 -45.65 17.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -58.3 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -73.88 -22.67 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 82' ' ' ASP . 65.3 mt -83.71 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.42 -1.2 60.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -97.01 95.44 7.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.3 mt -88.36 -38.56 15.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.73 -50.24 72.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.415 ' H ' ' NE2' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -59.5 -50.12 75.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -41.99 -42.31 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.622 HG22 HG13 ' A' ' 142' ' ' ILE . 75.8 t -63.18 -60.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.9 mt -50.87 -45.21 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.475 ' OD2' HD11 ' A' ' 109' ' ' LEU . 2.1 m-20 -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.61 ' HB2' HD13 ' A' ' 139' ' ' LEU . 22.0 mt -64.87 -35.14 80.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -45.54 -56.95 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -56.71 -36.71 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.12 -34.94 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' A' ' 135' ' ' PHE . 80.9 t -90.32 -43.28 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 t -51.51 -29.94 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.507 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -91.14 -29.33 17.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -122.99 87.14 50.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -1.73 8.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -109.13 -39.53 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.643 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 1.8 m-20 -59.06 99.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 134' ' ' VAL . 15.5 pttt -78.04 -28.42 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 90.4 t -46.66 -29.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.643 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 7.6 m-85 -78.4 -45.28 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -58.11 -42.92 86.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.27 -34.32 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.05 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.61 HD13 ' HB2' ' A' ' 122' ' ' LEU . 16.1 tp -74.99 -42.17 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -62.49 -13.1 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -81.55 -54.66 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.622 HG13 HG22 ' A' ' 119' ' ' VAL . 7.5 pt -81.7 -45.68 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.485 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 22.9 t -56.19 -35.43 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -84.36 169.7 45.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.97 3.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.314 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 60.5 p -55.56 161.06 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 31.8 t -83.09 -44.39 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t 49.65 41.92 22.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.899 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -151.88 176.12 11.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.63 163.04 14.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -124.45 177.49 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -143.8 122.09 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.25 171.25 46.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.9 ttt -168.25 151.31 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.817 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -132.0 158.76 40.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.47 134.22 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t -119.03 136.47 54.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -78.22 141.71 25.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -32.55 18.24 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.68 135.82 1.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.774 HG23 ' OE1' ' A' ' 17' ' ' GLU . 3.5 t -157.26 143.65 13.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 111.156 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.78 135.97 31.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.774 ' OE1' HG23 ' A' ' 15' ' ' THR . 7.3 mp0 -158.1 155.69 26.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 150.41 68.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.311 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -95.12 127.65 41.84 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -167.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.63 142.15 55.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.0 m -47.56 105.27 0.47 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.572 0.701 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -38.39 7.81 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.0 -136.11 1.97 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.86 46.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.8 p -117.6 104.34 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' GLU . 19.8 m -150.76 121.67 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.026 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.9 p -40.06 -25.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' SER . 15.2 tt0 -81.49 -45.22 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.6 tp-100 -84.94 -65.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -41.4 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -40.37 -55.17 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -47.09 -44.68 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -41.84 -41.82 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -65.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -49.23 -47.99 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -49.62 -38.65 32.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.55 -19.19 53.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -79.48 -48.36 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.61 -9.55 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 t -106.03 -18.93 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 112.74 -35.62 4.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.49 96.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 19.6 m-85 -80.35 -48.64 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.93 -33.39 20.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.22 -59.63 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.79 -36.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.53 -47.05 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.89 -40.8 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.31 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 22.8 m-85 -54.08 -30.7 49.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -61.16 -57.58 11.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -52.93 -55.13 25.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.026 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -41.61 -57.11 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.51 -41.69 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.8 14.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.444 HD12 ' H ' ' A' ' 28' ' ' VAL . 71.2 mt -78.23 147.21 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.89 86.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -103.54 163.16 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 160.54 68.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.625 0.726 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.43 30.79 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.36 -27.6 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.87 -45.93 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.838 ' HA ' HD12 ' A' ' 67' ' ' LEU . 45.6 mt-30 -45.12 -60.87 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.779 ' HB2' ' CB ' ' A' ' 94' ' ' LYS . . . -39.01 -45.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 66' ' ' VAL . 2.8 t -61.49 -37.04 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.08 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 64' ' ' GLN . 4.9 mt -75.1 -50.21 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.406 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 18.8 m-70 -49.33 -49.28 44.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' O ' ' CZ ' ' A' ' 104' ' ' ARG . 7.7 ptm180 -66.08 -27.16 67.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 8.0 m-20 -74.23 -32.68 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -70.5 -40.78 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.02 -29.75 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB2' ' HE ' ' A' ' 104' ' ' ARG . . . -66.13 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.7 m -44.3 -55.58 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' LEU . 59.0 m-70 -44.53 -61.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -41.49 -35.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -81.02 -32.19 34.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' HIS . 10.6 mt -95.32 42.65 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 42.04 46.46 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.459 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 27.8 m-20 -124.02 37.81 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 111' ' ' LYS . 9.7 m-85 -53.71 -39.92 65.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.18 -59.07 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -64.79 -43.78 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.61 -44.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.15 -57.43 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.3 m -53.79 -57.61 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -42.89 -58.3 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.553 ' HA ' HD12 ' A' ' 92' ' ' ILE . 4.0 m -56.07 -44.95 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.28 -21.34 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -91.86 -8.05 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 89' ' ' SER . 55.0 mt -91.92 -43.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 13.0 pt-20 -52.84 -52.5 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.779 ' CB ' ' HB2' ' A' ' 65' ' ' ALA . 1.1 mptp? -37.21 -71.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 95' ' ' ASP . 27.4 t0 -77.84 -61.65 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.05 -49.0 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.49 49.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -99.43 119.58 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.4 m -85.77 -26.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -51.7 -42.68 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.75 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 99' ' ' VAL . 9.8 mt -53.2 -57.96 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -46.62 -35.72 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HE ' ' HB2' ' A' ' 73' ' ' ALA . 11.2 mtt85 -71.11 -45.13 64.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -50.33 -52.86 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' GLN . 79.5 p -45.2 -50.17 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' SER . 25.0 mt-30 -38.06 -52.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -66.09 -55.99 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.622 HD23 ' CD ' ' A' ' 114' ' ' ARG . 80.2 mt -39.91 -52.4 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 14.9 mm-40 -61.33 -31.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.591 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -73.15 -38.7 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.28 3.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 115' ' ' LEU . . . 92.67 -46.9 2.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.622 ' CD ' HD23 ' A' ' 109' ' ' LEU . 2.3 ptp180 -44.97 90.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' GLY . 6.9 mt -91.77 -40.33 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.6 -29.11 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 117' ' ' GLN . 7.3 mp0 -81.87 -48.41 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.53 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -42.33 -43.88 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.78 -44.19 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.59 -27.21 68.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.61 -47.49 12.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' CYS . 32.5 mt -63.69 -52.23 61.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LEU . 74.3 mt-30 -37.68 -28.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 122' ' ' LEU . 14.8 mtt-85 -75.64 -44.93 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 122' ' ' LEU . 77.1 m -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.81 -39.99 87.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.5 t -66.32 -45.65 79.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -72.82 -30.92 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.69 87.44 55.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -9.81 27.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -100.58 -52.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -44.66 96.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -71.6 -20.01 62.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.705 HG23 ' CD1' ' A' ' 135' ' ' PHE . 12.8 m -59.21 -21.89 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.705 ' CD1' HG23 ' A' ' 134' ' ' VAL . 12.2 m-85 -88.78 -46.23 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.16 -26.41 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -85.71 -34.08 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.42 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -58.59 3.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -64.65 -10.13 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -82.02 -17.31 47.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.53 HD12 ' HB3' ' A' ' 118' ' ' ALA . 3.5 pt -120.92 -28.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 12.6 t -71.7 -32.71 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -65.77 149.02 51.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 120.7 7.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.3 t -47.08 -46.68 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 44.2 t -68.36 112.59 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.462 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 m -128.38 176.39 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -154.31 175.41 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.52 -173.05 36.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -162.08 177.52 9.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -163.61 174.69 11.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.14 -153.98 8.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.3 mmt -143.63 173.35 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.4 p -100.65 -45.75 5.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.492 ' O ' HG12 ' A' ' 10' ' ' VAL . 12.9 t 43.37 43.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -122.36 126.71 48.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.71 146.21 16.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 174.69 9.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.61 61.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.3 p -144.5 153.97 55.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.705 . . . . 0.0 111.139 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 104.54 1.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.719 2.28 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -135.85 157.9 75.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -173.28 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -107.78 81.42 1.17 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -168.33 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.254 . . . . 0.0 112.383 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.77 178.14 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.3 m -146.11 124.01 6.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.577 0.703 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 86.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.38 -160.76 10.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -98.89 42.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 m -125.61 101.61 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 m -149.28 126.4 11.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.4 p -41.39 -35.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.82 -49.28 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' LEU . 1.4 tm0? -81.78 -68.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -34.33 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.1 ttp85 -36.8 -51.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -52.75 -46.99 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -40.58 -39.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.99 -59.94 5.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 39' ' ' PHE . 7.6 m-80 -55.52 -57.01 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -39.47 -37.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 mt -81.28 -32.72 33.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' ASN . 32.6 t80 -68.62 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -6.07 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.5 m -104.89 -21.83 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.77 -34.46 4.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.52 98.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 21.1 m-85 -86.66 -46.82 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 -35.23 7.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.24 -54.99 2.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.94 -54.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.4 tm? -49.85 -57.57 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.51 -52.12 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.79 -46.31 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.15 -46.14 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -45.98 -56.52 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.67 -62.78 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -38.22 -42.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.91 -43.72 57.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.3 -38.36 12.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.05 157.11 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -78.96 45.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB3' ' OE1' ' A' ' 64' ' ' GLN . . . -57.53 169.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -59.72 157.22 29.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -3.96 13.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -94.9 -27.83 15.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.507 ' O ' HG12 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -82.09 -46.31 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.7 ' OE1' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -49.45 -24.56 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -78.76 -63.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 63' ' ' ASP . 10.7 p -49.29 -32.59 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.99 -47.52 36.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -51.22 -52.74 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.2 ptp180 -57.82 -43.44 85.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 6.7 m-20 -58.31 -52.84 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ALA . 35.1 mtm180 -41.5 -51.05 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -37.17 -49.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.27 -53.96 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.6 m -44.01 -48.92 8.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 20.3 m-70 -65.86 -56.5 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.7 mt -40.65 -43.9 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 2.4 mptm? -68.57 -46.36 69.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.46 41.99 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 38.82 47.83 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.449 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 17.0 m-20 -120.2 37.26 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 59.9 m-85 -47.56 -49.7 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -39.59 -63.49 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -66.36 -44.21 83.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.54 -54.23 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.11 -51.56 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.4 m -52.54 -56.39 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -45.73 -48.76 15.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.97 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.7 p -51.47 -46.46 63.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -50.15 -39.62 44.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.93 59.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.42 -40.17 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 5.3 pt-20 -69.15 -35.15 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 39.6 mmtt -53.6 -60.81 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -96.99 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.67 -48.43 0.95 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.05 56.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.02 85.52 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.821 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.722 HG21 ' HG3' ' A' ' 129' ' ' GLU . 28.1 m -63.54 -29.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -47.31 -55.71 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.8 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 99' ' ' VAL . 6.0 mt -52.98 -46.76 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.87 -43.27 90.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' ARG . 13.5 mtp85 -66.45 -51.27 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' ARG . 43.4 ttt180 -38.07 -59.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -41.28 -44.88 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -43.46 -41.3 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.04 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.5 mt -42.92 -61.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -51.09 -47.62 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 11.0 tptt -53.85 -38.21 64.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.68 28.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.28 30.58 55.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -106.38 48.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -56.11 -33.12 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -64.7 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.782 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.0 mp0 -80.41 -45.36 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.46 -46.83 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.51 HG13 HD11 ' A' ' 139' ' ' LEU . 45.3 t -62.52 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.4 mt -46.23 -44.56 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.32 -54.92 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 124' ' ' ARG . 33.0 mt -55.7 -44.23 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 122' ' ' LEU . 32.2 mt-30 -37.57 -31.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -78.88 -57.59 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.435 ' SG ' HD23 ' A' ' 122' ' ' LEU . 20.4 p -49.17 -28.24 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 135' ' ' PHE . 57.5 t -83.57 -28.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.9 t -77.59 -56.77 4.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.502 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 5.7 mt -57.27 -29.78 64.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.722 ' HG3' HG21 ' A' ' 99' ' ' VAL . 10.5 mm-40 -118.73 100.0 51.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -37.32 9.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 133' ' ' LYS . 47.4 mtmt -76.65 -52.14 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.578 ' HB3' ' CE2' ' A' ' 135' ' ' PHE . 3.3 m120 -38.97 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 131' ' ' LYS . 26.7 tttm -77.35 -42.21 37.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 133' ' ' LYS . 84.8 t -35.84 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.627 ' CB ' HG22 ' A' ' 126' ' ' VAL . 18.0 m-85 -72.89 -48.86 33.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 80.6 mt-30 -56.36 -47.31 79.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -63.67 -34.08 77.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.62 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.51 HD11 HG13 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -55.46 -53.72 52.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -65.9 -34.53 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -58.04 -38.31 76.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 119' ' ' VAL . 27.6 pt -92.58 -29.26 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.435 ' N ' HG13 ' A' ' 142' ' ' ILE . 4.8 t -69.29 -39.7 78.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' SER . . . -38.11 146.49 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.459 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.75 19.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.726 2.284 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 54.7 p -108.12 148.62 29.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 91.4 p -93.44 107.73 19.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -133.13 177.21 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -174.68 137.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.14 -126.02 2.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -129.49 161.65 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -160.74 158.04 27.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.819 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.06 75.37 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -140.74 149.35 42.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.8 p -156.58 127.15 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.8 t -120.6 128.07 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.2 p -170.73 147.41 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.73 143.44 8.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 127.85 15.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.85 169.29 14.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -123.73 119.85 26.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 0.0 111.131 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -87.79 148.07 42.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 88.01 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -88.31 134.29 34.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 148.13 64.61 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.18 158.89 25.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.062 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.2 t -37.75 141.69 0.47 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 132.62 23.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.73 -50.47 0.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.43 109.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.9 m 61.52 37.79 16.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 30' ' ' GLN . 21.8 m -105.66 120.9 42.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.014 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.8 p -38.23 -39.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -68.18 -41.45 81.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.9 tp-100 -86.42 -66.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.585 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -39.39 -27.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.3 ttp180 -38.36 -49.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -54.68 -48.13 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 38' ' ' LEU . 4.4 tp10 -38.93 -36.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.08 -60.44 3.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.2 m-20 -56.47 -52.65 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.7 -34.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 34' ' ' GLU . 18.9 mt -81.95 -28.83 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.4 t80 -66.55 -46.16 77.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.2 -7.27 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.5 m -102.08 -23.46 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.05 10.08 30.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.84 92.69 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 7.9 m-85 -77.79 -35.81 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.53 -35.93 87.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -88.64 -57.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.34 -41.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.0 tm? -65.96 -43.08 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -52.37 -45.67 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.97 71.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -52.98 -40.3 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.5 m -53.23 -59.21 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -48.86 -57.93 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.014 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -44.17 -55.25 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.38 -30.87 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.7 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 59' ' ' ALA . 54.1 mt -139.98 146.43 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.71 76.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -109.55 157.58 18.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 159.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 111.168 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.37 22.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 66' ' ' VAL . 38.3 tt0 -73.8 -24.39 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.38 -41.59 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.7 mt-30 -55.18 -43.24 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.606 HG13 HH21 ' A' ' 69' ' ' ARG . 90.5 t -56.78 -27.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.07 -43.88 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 46.6 m-70 -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.606 HH21 HG13 ' A' ' 66' ' ' VAL . 20.8 ptt180 -60.43 -26.78 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.05 -52.09 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.412 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 68.0 mtp180 -46.8 -44.84 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.99 -58.67 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.03 -59.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 7.4 m -44.49 -53.78 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 83' ' ' LYS . 5.8 m-70 -55.32 -57.88 10.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.664 HD23 ' HD1' ' A' ' 81' ' ' TYR . 19.0 mt -38.35 -50.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 23.7 mmtp -61.67 -34.69 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' HIS . 11.1 mt -94.74 40.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 39.23 32.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.42 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 23.3 m-20 -100.84 40.25 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.664 ' HD1' HD23 ' A' ' 76' ' ' LEU . 5.4 m-85 -50.23 -49.55 52.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' TYR . 6.3 m-20 -33.98 -57.5 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . 19.5 mtpt -72.41 -54.05 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -36.73 -65.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' OE2' HD12 ' A' ' 112' ' ' LEU . 11.3 tt0 -42.88 -38.5 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.1 m -77.73 -33.11 53.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.406 ' C ' ' HG2' ' A' ' 90' ' ' LYS . 17.3 mm-40 -68.87 -31.59 70.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.17 -46.98 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.452 ' HB2' ' CD ' ' A' ' 105' ' ' ARG . 38.4 t -63.45 -16.5 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 87' ' ' GLU . 16.5 ptpt -92.75 -26.87 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -83.26 -9.93 58.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.525 HD12 HH21 ' A' ' 105' ' ' ARG . 36.7 mt -85.53 -61.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.64 -33.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -55.94 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.58 -68.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.72 -44.13 1.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.19 40.38 2.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -115.19 69.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.007 HG13 HD22 ' A' ' 128' ' ' LEU . 21.7 m -52.74 -22.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -54.44 -42.23 70.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.7 -27.87 50.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 99' ' ' VAL . 11.9 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -62.76 -20.98 65.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -82.6 -48.1 11.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.525 HH21 HD12 ' A' ' 92' ' ' ILE . 4.1 ttm180 -53.66 -44.33 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.51 ' HA ' HD12 ' A' ' 109' ' ' LEU . 78.9 p -53.82 -46.18 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -45.14 -38.41 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.84 -45.73 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 106' ' ' SER . 21.5 mt -41.16 -57.26 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.473 ' OE1' HD22 ' A' ' 115' ' ' LEU . 16.5 mm-40 -56.12 -43.26 77.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.571 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -53.13 -45.21 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.412 HD12 ' OE2' ' A' ' 85' ' ' GLU . 68.7 mt -82.59 19.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.53 7.72 74.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 70.81 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.473 HD22 ' OE1' ' A' ' 110' ' ' GLU . 20.9 mt -82.42 -26.93 32.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.0 -40.66 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.463 ' HB2' HD22 ' A' ' 109' ' ' LEU . 3.7 mp0 -78.61 -46.39 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.41 ' HB3' ' OE2' ' A' ' 110' ' ' GLU . . . -43.18 -38.85 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.89 -54.59 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.1 mt -56.86 -59.52 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.45 ' O ' HD22 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -48.15 -34.41 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.442 ' HB3' HD12 ' A' ' 139' ' ' LEU . 38.6 mt -79.19 -37.97 36.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.563 ' HG2' HD11 ' A' ' 139' ' ' LEU . 24.1 mt-30 -56.78 -16.27 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -89.11 -25.8 21.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 73.5 m -67.93 -34.71 77.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.66 -34.15 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.8 t -62.27 -65.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.007 HD22 HG13 ' A' ' 99' ' ' VAL . 2.0 mp -52.51 -45.32 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -118.48 84.81 24.7 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -5.08 15.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -101.93 -52.0 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -41.09 123.76 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' GLN . 8.9 mptt -85.77 -42.73 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' LYS . 11.6 t -34.82 -34.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 133' ' ' LYS . 13.7 m-85 -79.4 -45.12 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 133' ' ' LYS . 76.1 mt-30 -57.84 -24.15 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.56 -54.45 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -44.27 -32.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.563 HD11 ' HG2' ' A' ' 123' ' ' GLN . 0.6 OUTLIER -85.96 -43.86 12.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -65.36 -21.05 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -80.38 -54.34 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 143' ' ' SER . 25.0 pt -71.14 -30.8 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 142' ' ' ILE . 17.0 t -81.0 -30.14 35.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -89.13 164.95 32.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 94.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.234 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 10.2 t -80.99 97.93 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 69.0 m 41.03 41.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -159.08 176.58 12.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -139.9 175.87 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.22 155.98 7.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -172.46 144.19 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -151.21 176.92 10.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.27 113.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.94 147.55 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 p -152.38 125.71 8.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.16 127.86 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.6 p -142.12 163.62 32.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.1 146.32 18.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -176.6 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 141.45 109.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.8 p -128.02 144.15 50.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 111.2 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.706 2.271 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -51.29 150.93 5.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.721 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 96.59 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -97.0 137.18 21.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.87 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.27 . . . . 0.0 112.345 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.41 166.0 30.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -41.33 141.84 1.03 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 116.11 4.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -146.45 63.37 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 41.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.534 ' O ' HD11 ' A' ' 57' ' ' LEU . 20.0 m -120.91 -41.07 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -64.44 131.01 45.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.954 HG23 ' CB ' ' A' ' 54' ' ' ALA . 3.8 p -58.99 -38.07 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 2.0 pm0 -67.81 -37.34 81.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' ARG . 58.0 tt0 -86.77 -71.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.523 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -33.96 -33.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.58 ' HD2' HD21 ' A' ' 67' ' ' LEU . 7.7 tpt180 -34.23 -58.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -41.61 -49.99 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 8.7 tt0 -42.11 -43.59 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.09 -45.16 89.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.425 ' C ' ' HE3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -68.2 -59.19 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 48.9 mt-10 -41.86 -48.33 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 46' ' ' GLY . 17.7 mt -64.6 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -68.34 -52.74 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 13.5 ptpt -59.01 -10.63 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.76 -24.02 13.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.51 -34.85 4.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -51.27 97.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.471 ' CZ ' ' HD2' ' A' ' 77' ' ' LYS . 21.7 m-85 -82.69 -46.49 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.4 -36.15 29.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.475 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -84.43 -55.89 2.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.458 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -39.45 -51.86 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.747 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.3 tm? -54.19 -56.07 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.51 -51.85 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -56.19 -59.26 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -47.97 -38.37 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.0 m -58.09 -59.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.44 -56.84 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.954 ' CB ' HG23 ' A' ' 28' ' ' VAL . . . -45.14 -49.06 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.79 -32.35 70.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.36 31.64 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.534 HD11 ' O ' ' A' ' 26' ' ' SER . 75.1 mt -137.4 151.31 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.63 86.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.842 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -118.23 155.9 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -48.58 157.0 0.77 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.48 23.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -93.6 -35.73 12.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -78.69 -26.35 44.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 54.7 mt-30 -66.46 -45.09 80.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -66.32 -56.5 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' A' ' 63' ' ' ASP . 6.3 p -46.67 -38.66 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.58 HD21 ' HD2' ' A' ' 32' ' ' ARG . 21.2 mt -69.15 -38.42 78.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 13.5 m-70 -57.41 -46.52 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.7 ptt180 -70.37 -33.95 72.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 8.6 m120 -59.45 -51.95 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.747 ' HE ' HD21 ' A' ' 48' ' ' LEU . 47.7 mtp180 -43.58 -43.63 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.07 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.17 -59.62 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.89 -48.12 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 58.2 m-70 -50.22 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 81' ' ' TYR . 28.3 mt -37.22 -42.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 44' ' ' TYR . 56.4 mmtt -67.38 -41.95 84.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.9 mt -83.29 42.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 17.9 mt-10 35.55 32.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' LEU . 90.8 m-20 -109.61 39.62 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 111' ' ' LYS . 77.6 m-85 -41.02 -48.04 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -43.46 -53.78 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -54.29 -45.05 72.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.57 -40.25 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -52.51 -46.79 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -74.6 -38.53 62.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.475 ' HA ' ' CD ' ' A' ' 90' ' ' LYS . 62.8 mm-40 -64.47 -32.98 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 -37.22 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 t -76.16 -23.64 54.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 87' ' ' GLU . 9.6 ptmt -87.12 -25.16 24.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -82.34 -35.79 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' GLY . 57.5 mt -64.9 -56.35 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -47.28 -45.98 24.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 7.7 mmtp -49.75 -49.85 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 17.5 m-20 -88.05 -66.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 122.98 -49.51 0.89 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -123.21 65.15 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -122.29 102.94 8.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.606 HG11 ' HG2' ' A' ' 129' ' ' GLU . 3.1 m -66.27 -29.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -44.88 -59.99 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.09 -60.17 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -47.09 -39.23 12.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 -72.6 -39.74 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -52.57 -38.89 60.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -67.36 -22.65 65.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -72.31 -43.02 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD1' ' OD2' ' A' ' 121' ' ' ASP . 43.2 mt -59.98 -55.62 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -43.27 -42.53 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 21.3 mmtt -71.68 -50.42 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.03 -24.92 60.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.95 31.54 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.483 ' NE ' ' OE1' ' A' ' 117' ' ' GLN . 26.4 mtp85 -121.9 82.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.82 -35.17 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.459 ' HB3' ' NE2' ' A' ' 117' ' ' GLN . 16.9 t0 -49.69 -40.39 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.483 ' OE1' ' NE ' ' A' ' 114' ' ' ARG . 1.7 mp0 -82.12 -43.54 17.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.81 -43.1 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.81 -64.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.3 mt -46.11 -52.21 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 109' ' ' LEU . 24.3 m-20 -50.85 -46.13 60.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 139' ' ' LEU . 31.4 mt -64.37 -45.18 88.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.437 ' HG2' HD11 ' A' ' 139' ' ' LEU . 50.1 mt-30 -38.79 -43.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -67.09 -49.12 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 71.1 m -39.54 -47.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.91 -38.17 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -60.19 -40.6 90.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.5 ' HB2' HG12 ' A' ' 99' ' ' VAL . 10.6 mt -78.84 -42.95 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.606 ' HG2' HG11 ' A' ' 99' ' ' VAL . 41.8 mm-40 -115.01 90.21 22.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.5 Cg_endo -69.74 -25.21 28.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 19.1 ptpt -81.37 -42.13 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.51 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 6.3 m120 -54.83 106.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' VAL . 40.8 mtmt -78.43 -43.27 27.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' LYS . 59.0 t -36.16 -42.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.2 m-85 -67.37 -48.76 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -50.07 -21.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 2.1 mm-40 -93.79 -46.38 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.62 -43.64 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -65.64 -71.09 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.426 ' CG ' ' HA ' ' A' ' 137' ' ' GLU . 13.6 ptt85 -42.45 -34.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -54.19 -54.73 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.492 HG13 ' N ' ' A' ' 143' ' ' SER . 26.0 pt -80.23 -42.8 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.492 ' N ' HG13 ' A' ' 142' ' ' ILE . 3.2 t -54.5 -44.31 72.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -68.19 -166.02 3.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.24 54.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.4 p -115.49 -45.47 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 68.0 p 41.35 42.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -162.95 173.71 13.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -155.93 165.55 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.72 -176.5 39.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -145.71 177.69 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -157.39 173.3 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.96 118.63 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -163.47 175.92 10.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.0 t -150.28 152.34 34.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.4 t -139.56 124.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -56.89 168.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.22 -113.31 1.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.56 56.49 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.304 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.17 -138.04 5.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.0 m -165.8 105.04 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 164.17 35.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -157.35 145.3 14.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 151.01 68.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -79.85 144.05 59.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 109.94 2.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.44 30.59 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 t -160.99 141.21 8.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.27 32.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.98 172.07 28.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.43 56.34 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -121.74 -23.06 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t -59.27 136.87 58.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 59' ' ' ALA . 1.4 p -52.23 -48.11 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -50.49 -39.17 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' ARG . 3.3 tp-100 -86.73 -67.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -37.92 -27.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' GLN . 2.2 ttp85 -40.49 -45.79 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -53.06 -50.92 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.728 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 27.2 tt0 -41.23 -40.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.88 -43.9 48.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.2 m-20 -69.06 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' N ' ' HE3' ' A' ' 40' ' ' LYS . 51.4 mt-10 -39.56 -44.28 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.7 -34.61 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -69.79 -49.68 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 37' ' ' GLU . 13.2 ptpt -62.87 -7.38 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.7 t -105.37 -19.59 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.05 -33.4 5.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.51 98.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 18.5 m-85 -84.95 -44.36 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.57 -30.45 20.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -92.54 -57.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.95 -35.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 111.055 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.3 tm? -68.66 -46.1 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -49.9 -43.17 49.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.728 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -63.39 -50.97 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -55.79 -36.89 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -55.99 -51.55 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.26 -49.41 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -43.62 -53.53 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.501 HD12 ' HD2' ' A' ' 71' ' ' ARG . 14.0 mt -62.38 -39.05 91.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.2 -44.84 74.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 59' ' ' ALA . 27.0 mt -75.64 134.01 40.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -55.91 84.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.752 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -99.47 153.37 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -37.58 156.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -13.63 34.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -93.96 -19.16 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.562 ' O ' HD12 ' A' ' 67' ' ' LEU . 1.1 m-20 -92.77 -31.23 15.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.6 mt-30 -61.7 -30.32 70.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -77.96 -66.18 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' ALA . 11.4 p -37.53 -36.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 63' ' ' ASP . 10.5 mt -71.97 -46.08 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' ALA . 19.2 m-70 -52.06 -49.95 62.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.43 -23.21 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.68 -47.04 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HD2' HD12 ' A' ' 55' ' ' LEU . 14.2 mtp-105 -57.24 -29.72 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . . . -59.11 -42.93 91.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -54.58 -56.23 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.23 -51.75 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -57.72 -53.24 60.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 81' ' ' TYR . 71.9 mt -47.45 -50.56 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 27.9 mmtm -61.34 -29.13 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.5 mt -97.8 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 4.4 tt0 35.35 45.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ASP . 35.2 t0 -125.77 35.7 4.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.3 m-85 -40.75 -26.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 80' ' ' ASP . 6.9 m-20 -47.27 -68.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' HE3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -61.35 -42.21 98.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.95 -60.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -44.91 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.514 HG22 ' HE3' ' A' ' 90' ' ' LYS . 21.5 m -38.5 -57.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 10.9 mt-10 -52.53 -37.37 57.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 85' ' ' GLU . . . -64.33 -36.3 83.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.4 p -76.01 -27.15 57.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.514 ' HE3' HG22 ' A' ' 86' ' ' THR . 66.5 mttt -74.73 -33.06 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.05 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.0 mt -82.42 -52.43 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 14.0 pt-20 -60.8 -39.52 89.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 17.2 mmtt -54.16 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -94.07 -70.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.43 -55.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.17 57.86 2.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -129.19 96.37 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.0 m -73.83 -23.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -53.6 -35.33 60.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.68 -44.48 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 99' ' ' VAL . 7.1 mt -47.48 -50.73 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.79 -48.42 72.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -54.46 -45.08 73.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -53.32 -54.75 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -48.55 -47.15 39.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.59 -36.92 37.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -82.63 -53.04 6.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 108' ' ' ALA . 78.4 mt -35.76 -56.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -51.17 -55.3 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.54 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 6.8 tptt -53.83 -50.74 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.77 -24.29 61.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.97 -17.55 8.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.73 102.01 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.68 -64.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -37.49 -46.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -61.48 -51.21 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.14 -45.67 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.58 HG13 HD11 ' A' ' 139' ' ' LEU . 40.6 t -70.42 -44.84 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.3 mt -56.82 -55.57 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 121' ' ' ASP . 0.1 OUTLIER -51.17 -35.64 37.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 124' ' ' ARG . 83.2 mt -70.94 -52.88 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -38.82 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' LEU . 69.2 mtt180 -84.28 -46.25 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' LEU . 19.5 p -58.82 -25.94 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.1 t -77.44 -32.48 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -69.44 -53.12 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -63.14 -25.71 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.415 ' HG3' ' ND2' ' A' ' 132' ' ' ASN . 31.8 mm-40 -125.08 88.99 53.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.7 12.56 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 133' ' ' LYS . 16.3 mmmt -110.44 -53.3 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.415 ' ND2' ' HG3' ' A' ' 129' ' ' GLU . 2.0 m-20 -36.62 95.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 131' ' ' LYS . 13.7 mmtp -73.65 -39.51 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.549 HG23 ' CD1' ' A' ' 135' ' ' PHE . 34.1 m -37.59 -32.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.549 ' CD1' HG23 ' A' ' 134' ' ' VAL . 16.3 m-85 -76.66 -51.07 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -51.93 -28.88 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.93 -47.29 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.79 -36.39 64.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.58 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -53.96 -58.86 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -66.77 -35.52 80.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -52.97 -27.8 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 143' ' ' SER . 28.2 pt -108.41 -30.63 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.449 ' N ' HG13 ' A' ' 142' ' ' ILE . 4.8 t -74.15 -20.2 60.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 136.99 142.96 4.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 164.6 33.91 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.1 t -72.61 -57.48 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.3 p -80.7 108.22 14.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -166.96 119.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -153.98 163.81 39.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.68 145.56 11.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -173.86 152.76 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -154.36 176.1 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.1 125.1 2.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.538 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.8 ttm -174.08 128.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 83.4 m -161.11 131.03 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -147.36 134.75 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -170.77 163.5 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.92 82.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -177.42 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.42 145.14 4.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 m -160.26 127.38 2.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.709 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.53 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -125.81 144.28 47.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.675 0.75 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.56 7.94 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.301 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -116.62 81.9 11.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.495 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.74 -176.29 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . 71.83 34.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -121.32 141.73 33.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.134 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 114.96 3.88 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.62 111.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.01 108.75 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -114.69 40.18 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.1 m -92.88 117.99 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.964 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.5 p -40.19 -30.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.6 -46.68 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.7 tp-100 -87.13 -61.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.7 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -37.75 -32.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.588 ' NH2' HG21 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -39.15 -59.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -43.33 -44.56 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -42.16 -41.67 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.97 -52.3 29.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -54.98 -56.92 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.52 -41.76 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 mt -71.5 -35.34 70.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.4 t80 -66.72 -50.96 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -63.16 -7.33 5.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.14 -23.51 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 -32.7 5.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.35 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -83.33 -49.2 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.14 -32.04 9.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.7 -56.48 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -37.53 -41.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.41 -48.93 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.7 -51.7 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.23 -55.86 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -50.08 -33.93 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.0 m -60.28 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -48.2 -51.21 26.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.964 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -49.61 -50.9 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD1' ' CZ ' ' A' ' 71' ' ' ARG . 19.3 mt -63.63 -46.03 87.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.29 -44.24 27.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.23 148.15 47.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -73.27 85.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.673 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -96.59 174.64 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.28 159.19 31.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.165 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.29 36.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.312 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -89.76 -17.86 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.46 ' O ' HG12 ' A' ' 66' ' ' VAL . 4.7 t70 -93.35 -31.99 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -59.91 -21.46 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -83.13 -63.18 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.588 HG21 ' NH2' ' A' ' 32' ' ' ARG . 10.9 p -42.46 -36.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.53 -31.49 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' ALA . 4.6 m170 -67.7 -54.05 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.56 HH21 HG23 ' A' ' 66' ' ' VAL . 34.6 ptt180 -61.23 -27.22 68.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 2.8 m-80 -78.16 -56.33 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 55' ' ' LEU . 16.6 mtm180 -39.57 -45.78 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.48 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -41.58 -50.42 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -43.55 -63.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.4 m -38.36 -56.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -54.89 -59.08 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 81' ' ' TYR . 22.0 mt -43.68 -45.25 6.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -64.93 -35.94 82.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.41 35.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 51.19 46.7 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -126.11 74.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.63 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 18.6 m-85 -88.31 -34.7 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.29 -37.61 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -86.1 -46.27 10.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.9 -57.65 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.77 -48.42 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -56.34 -59.73 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 44.1 mt-10 -46.35 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.99 -60.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.3 t -40.89 -56.37 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -49.17 -48.96 44.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.23 -62.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' HG ' ' A' ' 102' ' ' LEU . 70.2 mt -52.24 -25.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.52 -37.17 32.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -59.51 -50.07 75.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.24 -70.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.96 -41.67 1.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.15 53.88 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.13 92.34 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 17.8 m -64.02 -35.72 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 99' ' ' VAL . 14.3 mmmm -37.48 -38.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' A' ' 69' ' ' ARG . . . -82.46 -37.71 25.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 99' ' ' VAL . 7.9 mt -58.28 -40.73 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -69.03 -27.99 66.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -83.33 -32.55 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.8 -45.06 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.8 p -50.5 -45.55 56.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -49.58 -35.05 19.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.08 -55.55 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.1 mt -44.17 -42.72 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.434 ' HA ' HD23 ' A' ' 115' ' ' LEU . 24.0 mm-40 -56.69 -54.38 46.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.63 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -62.53 -26.81 68.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.84 -0.33 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.53 8.51 87.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -97.81 57.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 110' ' ' GLU . 50.6 mt -55.89 -60.49 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' LEU . 3.3 m-20 -35.3 -42.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.809 ' HA ' HD12 ' A' ' 120' ' ' LEU . 19.4 mm-40 -68.88 -50.91 45.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -38.55 -47.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.589 HG13 HD11 ' A' ' 139' ' ' LEU . 30.0 t -63.77 -42.43 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 117' ' ' GLN . 10.6 mt -64.4 -51.14 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.1 -17.09 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.3 mt -92.85 -39.49 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.75 -20.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -88.01 -32.69 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.427 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 94.7 m -54.68 -27.11 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.24 -39.5 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.8 t -61.99 -35.88 79.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.488 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -83.85 -38.98 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.425 ' HG2' HG21 ' A' ' 99' ' ' VAL . 10.4 mm-40 -126.45 84.01 63.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.743 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.03 20.02 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -99.35 -28.05 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.688 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 5.4 m-20 -66.1 76.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -46.86 -40.61 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.448 ' N ' ' HG2' ' A' ' 133' ' ' LYS . 28.5 m -39.11 -40.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.688 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 13.9 m-85 -72.13 -52.51 16.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -43.72 -29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -92.65 -52.1 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -41.94 -31.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.589 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -69.42 -57.54 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -34.82 76.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.5 -37.14 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 pt -102.9 -24.42 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.6 t -75.55 -21.21 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -60.92 146.19 47.7 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 155.81 64.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 26.8 m -62.8 149.34 44.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.9 p -102.02 143.28 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -167.42 147.68 5.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -155.53 172.31 18.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.82 173.3 39.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -122.05 157.21 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -126.94 153.17 46.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.69 133.5 2.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -170.66 153.85 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -172.8 141.83 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -152.96 166.34 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.59 171.6 13.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.33 93.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -175.24 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.25 178.9 18.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.3 p -135.28 141.95 39.76 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.573 0.702 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -172.43 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -152.04 143.09 15.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -173.24 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -134.37 138.09 29.42 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.711 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 137.05 34.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.53 163.67 23.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.6 t -173.39 141.03 0.89 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.53 0.681 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -173.47 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.78 136.74 3.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.32 116.66 21.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.03 -72.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t -172.41 -175.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.912 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.2 p -50.58 -38.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.27 -34.91 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.4 tp-100 -91.02 -69.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.599 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.09 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.2 ttp180 -34.96 -51.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -52.5 -49.28 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 15.4 tt0 -39.82 -40.44 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.73 -63.56 3.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.1 m-20 -56.17 -53.9 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -42.65 -42.92 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.3 mt -74.77 -32.2 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.797 ' CZ ' ' HB1' ' A' ' 73' ' ' ALA . 19.1 t80 -68.17 -52.51 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -4.22 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.8 t -103.96 -24.44 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.31 -33.34 4.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -59.34 93.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -80.14 -48.07 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.83 -37.4 35.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -81.52 -55.27 3.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.13 -49.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' ALA . 2.7 tm? -54.74 -55.53 29.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -37.42 -57.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -48.45 -55.05 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -50.05 -46.45 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.9 m -49.6 -53.23 25.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -56.37 -58.43 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.912 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -36.92 -54.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.09 -44.72 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.06 -42.78 23.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -73.89 148.38 42.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.13 81.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.699 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -98.17 167.98 10.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 p -52.81 156.24 3.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -94.53 -42.85 8.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.05 -43.81 91.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.833 ' HA ' HD12 ' A' ' 67' ' ' LEU . 31.4 mt-30 -47.76 -55.17 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.16 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.519 HG13 ' NH2' ' A' ' 69' ' ' ARG . 96.9 t -58.03 -39.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 64' ' ' GLN . 5.1 mt -70.02 -42.33 73.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -59.09 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.519 ' NH2' HG13 ' A' ' 66' ' ' VAL . 48.3 ptt85 -63.61 -36.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -69.17 -45.1 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -49.44 -51.64 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . . . -41.4 -40.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.797 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -51.53 -58.22 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.4 m -45.32 -52.82 9.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -57.69 -54.94 41.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 73' ' ' ALA . 50.2 mt -40.37 -47.89 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -68.4 -39.67 81.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.26 40.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.9 47.01 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.71 51.26 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.483 ' CD2' ' HG2' ' A' ' 111' ' ' LYS . 44.8 m-85 -63.11 -43.79 97.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.46 ' HA ' HD21 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -41.61 -61.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mtpt -61.27 -53.47 56.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.66 -51.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -45.11 -47.44 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' LYS . 17.0 m -63.55 -59.67 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 8.8 mt-10 -42.89 -30.48 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.7 -48.06 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.2 t -62.24 -25.47 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -87.09 -35.44 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.6 69.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.86 -63.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 6.4 pt-20 -46.81 -31.61 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 14.1 mmtm -52.88 -59.18 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.36 -56.31 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.23 23.6 21.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.26 35.82 0.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -127.1 80.01 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.047 HG13 HD22 ' A' ' 128' ' ' LEU . 6.2 m -51.3 -37.45 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' VAL . 19.9 mmtp -35.99 -39.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.19 -54.03 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 99' ' ' VAL . 20.3 mt -42.73 -54.69 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -48.15 -43.14 31.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -70.48 -41.43 72.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -51.34 -50.02 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 p -45.38 -44.01 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -49.4 -45.15 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 -43.35 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.455 HD23 ' HD3' ' A' ' 114' ' ' ARG . 40.6 mt -52.39 -58.45 6.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -50.93 -44.88 60.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 10.0 tptt -59.41 -37.43 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 82' ' ' ASP . 7.7 mt -84.83 28.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 54.23 30.58 48.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.455 ' HD3' HD23 ' A' ' 109' ' ' LEU . 73.2 mtp85 -106.47 41.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.5 mt -52.4 -38.16 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.23 -38.54 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.576 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.7 mp0 -78.06 -47.15 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.29 -39.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.752 HG13 HD21 ' A' ' 139' ' ' LEU . 79.6 t -64.56 -55.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 117' ' ' GLN . 6.4 mt -54.25 -44.27 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -49.18 78.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.402 ' HB2' HD12 ' A' ' 139' ' ' LEU . 93.9 mt -63.57 -43.97 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.547 ' CG ' HD11 ' A' ' 139' ' ' LEU . 24.2 mt-30 -42.6 -40.59 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 127' ' ' SER . 43.1 mtt-85 -59.88 -53.81 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.521 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 40.9 m -38.2 -59.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.9 t -48.06 -35.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.4 t -57.35 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.047 HD22 HG13 ' A' ' 99' ' ' VAL . 1.9 mp -55.46 -46.33 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -119.25 99.86 50.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.74 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -24.65 29.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -88.16 -46.5 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.579 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.7 m120 -36.39 117.3 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 136' ' ' GLN . 12.5 ttpt -87.47 -45.07 10.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 133' ' ' LYS . 77.0 t -35.48 -33.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 27.0 m-85 -73.16 -47.46 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 133' ' ' LYS . 64.9 mt-30 -57.37 -50.96 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.3 pt-20 -57.51 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 137' ' ' GLU . . . -63.9 -58.88 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.752 HD21 HG13 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -63.94 -39.36 93.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -66.52 -29.01 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 56.8 m-20 -69.45 -50.99 40.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 143' ' ' SER . 49.1 pt -75.25 -37.56 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.478 ' N ' HG13 ' A' ' 142' ' ' ILE . 6.2 t -69.69 -41.01 75.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -97.17 177.09 32.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 142.76 48.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 147' ' ' SER . 29.1 t -112.12 -62.83 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 146' ' ' SER . 67.5 m -37.25 -49.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' GLN . 16.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.017 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.7 p -35.27 -40.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 5.5 pt-20 -58.72 -46.68 86.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' SER . 38.0 tt0 -90.64 -68.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.38 -42.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' N ' HD12 ' A' ' 31' ' ' LEU . 31.5 ttt180 -36.55 -49.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -46.78 -44.78 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.673 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 18.1 tt0 -42.98 -44.45 4.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.55 -64.03 4.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.43 ' C ' ' HE3' ' A' ' 40' ' ' LYS . 13.1 m-80 -54.54 -46.58 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -51.08 -41.41 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.79 -30.55 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -69.35 -49.09 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.7 ptpt -61.32 -8.91 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -104.88 -21.58 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.15 -29.24 7.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.95 93.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.58 -46.31 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.27 -38.61 26.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -82.31 -53.67 3.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.449 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.44 -50.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.88 -53.98 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.47 -51.77 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.673 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -55.46 -54.23 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -53.44 -35.31 60.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -58.94 -58.74 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.6 -51.83 52.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.017 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -47.55 -47.73 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.506 HD12 ' HE ' ' A' ' 71' ' ' ARG . 16.2 mt -68.38 -27.23 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.46 33.23 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -137.1 -179.42 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -88.55 60.18 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.976 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -85.18 166.18 16.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 159.79 80.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.51 36.08 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.366 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -85.47 -23.01 28.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.43 -33.33 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.735 ' HA ' HD12 ' A' ' 67' ' ' LEU . 43.2 mt-30 -57.16 -35.3 69.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.0 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.15 -32.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 64' ' ' GLN . 6.5 mt -73.86 -41.37 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -56.67 -51.88 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -63.7 -24.42 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -76.36 -41.15 49.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.506 ' HE ' HD12 ' A' ' 55' ' ' LEU . 14.9 mtt180 -53.67 -43.52 68.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.64 66.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.92 -50.11 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.2 m -59.8 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' LEU . 22.5 m-70 -54.67 -59.16 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.483 HD23 ' HD1' ' A' ' 81' ' ' TYR . 28.5 mt -39.45 -48.96 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -65.89 -32.77 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' HIS . 7.4 mt -96.16 46.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' LEU . 6.1 tt0 36.3 47.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 9.6 m-20 -121.42 43.01 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.483 ' HD1' HD23 ' A' ' 76' ' ' LEU . 6.3 m-85 -55.48 -50.5 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.43 -55.81 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' ALA . 27.9 mttt -72.12 -51.72 20.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.68 -49.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -52.33 -56.77 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.3 m -53.37 -57.55 10.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.74 -53.22 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 101' ' ' ALA . . . -46.93 -52.98 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.0 t -49.61 -46.26 49.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.12 -34.5 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.25 -20.3 37.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -83.64 -37.66 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.26 -42.73 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -45.7 -57.05 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -110.92 -70.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 129.12 -35.36 2.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.35 23.64 26.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.02 80.27 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.856 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.6 m -62.45 -19.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -55.87 -56.74 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 88' ' ' ALA . . . -64.09 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 99' ' ' VAL . 22.7 mt -68.23 -51.25 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -60.51 -28.91 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -84.77 -39.88 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.429 ' NH2' ' OD1' ' A' ' 121' ' ' ASP . 15.8 ttp180 -55.3 -50.62 69.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -51.58 -49.22 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -48.97 -43.71 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.3 -51.77 48.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 112' ' ' LEU . 47.5 mt -50.41 -54.8 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -40.85 -36.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.468 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 9.3 mptt -77.7 -39.96 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 109' ' ' LEU . 45.1 mt -64.62 -23.35 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.65 -7.2 27.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -89.69 91.39 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 116' ' ' ASP . 20.7 mt -79.7 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.1 m-20 -36.34 -47.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 120' ' ' LEU . 17.4 mm-40 -63.05 -52.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.632 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -45.56 -35.97 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.42 HG13 HD21 ' A' ' 139' ' ' LEU . 21.4 t -72.53 -44.94 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 117' ' ' GLN . 11.7 mt -52.45 -54.41 32.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.429 ' OD1' ' NH2' ' A' ' 105' ' ' ARG . 74.0 m-20 -53.92 -50.48 66.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' CYS . 40.6 mt -55.72 -52.1 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -40.98 -33.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -74.07 -39.48 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 122' ' ' LEU . 60.4 m -54.33 -34.1 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.9 t -66.61 -38.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.0 t -61.47 -61.56 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.791 ' HB2' HG11 ' A' ' 99' ' ' VAL . 2.8 mm? -50.12 -55.23 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.89 88.78 8.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.697 0.76 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.26 9.9 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -106.61 -43.25 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -51.92 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 135' ' ' PHE . 17.8 mtpt -71.38 -34.69 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 133' ' ' LYS . 69.9 t -35.55 -31.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 133' ' ' LYS . 19.4 m-85 -82.14 -51.69 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -47.39 -25.23 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -95.68 -53.02 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.6 -28.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.42 HD21 HG13 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -68.58 -59.68 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.9 -18.74 63.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.48 -33.2 73.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.632 HD12 ' HB3' ' A' ' 118' ' ' ALA . 5.1 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.92 0.391 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.103 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.7 p -55.04 -24.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -78.36 -46.45 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' LEU . 2.9 tp60 -82.54 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.694 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -35.56 -40.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' LEU . 12.0 ttt180 -34.85 -54.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -40.1 -48.89 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 17.0 tt0 -45.65 -43.46 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.36 -62.06 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.4 m-20 -59.05 -57.51 12.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 8.1 mm-40 -39.48 -41.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.0 mt -72.18 -35.89 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.3 t80 -68.25 -52.95 28.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -55.65 -13.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.1 t -104.45 -24.43 13.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.78 -29.32 6.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.78 89.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -80.58 -47.16 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.95 -35.56 18.33 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.86 -51.15 3.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.23 -43.65 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 71' ' ' ARG . 2.8 tm? -62.0 -51.35 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.53 -50.32 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -53.63 -52.13 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -52.24 -43.67 64.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -47.19 -59.27 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -50.86 -63.52 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.103 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -38.56 -45.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.2 -42.53 83.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.72 -46.34 30.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.09 159.1 24.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -80.35 46.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.823 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -58.99 160.64 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.81 157.5 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -18.26 36.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -84.91 -31.37 23.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -38.37 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 67' ' ' LEU . 63.1 mt-30 -57.65 -55.38 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.46 ' CB ' ' OD1' ' A' ' 95' ' ' ASP . . . -45.3 -40.97 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.46 -55.54 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' GLN . 9.1 mt -54.2 -30.81 51.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.827 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 8.8 m-70 -65.45 -58.21 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -62.44 -21.59 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -79.08 -54.86 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HD2' HD21 ' A' ' 48' ' ' LEU . 21.8 mtm180 -44.39 -55.02 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.62 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.2 m -43.03 -47.79 5.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 78' ' ' LEU . 37.7 m-70 -58.21 -61.45 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -40.32 -44.23 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -70.02 -35.47 74.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.1 mt -92.32 45.42 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.9 mt-10 36.32 46.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -121.09 45.97 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CE1' ' HD3' ' A' ' 111' ' ' LYS . 35.0 m-85 -56.9 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -38.05 -57.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.8 mtpt -69.31 -44.15 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.89 -57.19 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -49.41 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.4 m -54.68 -54.14 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.55 -45.37 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.72 -52.03 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.0 p -50.3 -46.53 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -62.65 -41.31 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -62.39 -41.18 98.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.01 -65.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 11.6 pt-20 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 16.3 mmtp -50.2 -55.76 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 4.0 m-20 -94.84 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.89 -42.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.59 55.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -120.1 89.05 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.4 m -69.13 -29.34 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -46.96 -43.08 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.2 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.596 HD23 ' OD2' ' A' ' 121' ' ' ASP . 9.5 mt -52.92 -42.4 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -59.17 -28.96 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -85.89 -38.18 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -55.29 -35.17 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.4 p -69.88 -26.38 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.87 -41.16 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.98 -48.67 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.504 HD23 ' HD2' ' A' ' 114' ' ' ARG . 73.2 mt -46.91 -51.18 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.16 -50.53 48.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.401 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 2.2 mptp? -62.29 -33.52 74.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.4 24.37 0.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.28 26.45 50.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.504 ' HD2' HD23 ' A' ' 109' ' ' LEU . 95.7 mtt180 -106.21 57.35 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.81 -32.99 74.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.24 -33.28 74.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.679 ' HA ' HD12 ' A' ' 120' ' ' LEU . 2.2 mp0 -84.48 -38.22 20.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.21 -38.51 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 142' ' ' ILE . 53.1 t -66.36 -50.31 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.0 mt -56.24 -61.78 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.596 ' OD2' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -43.14 -39.2 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.697 ' HB2' HD13 ' A' ' 139' ' ' LEU . 54.0 mt -75.79 -40.8 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -47.79 -20.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -87.01 -53.18 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.58 -22.96 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 92.3 t -79.74 -25.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.1 t -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 9.2 mt -54.14 -31.53 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -130.1 88.45 48.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -24.23 29.74 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -83.68 -39.04 20.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.4 m-80 -52.78 95.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -71.26 -35.0 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.0 t -45.78 -30.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 17.0 m-85 -78.51 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.76 -39.31 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.8 pt-20 -68.19 -33.29 74.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.48 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -75.57 -41.26 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.697 HD13 ' HB2' ' A' ' 122' ' ' LEU . 34.8 tp -67.27 -59.04 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -44.06 -22.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 138' ' ' ALA . 51.4 m-20 -70.62 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.508 HG13 HG22 ' A' ' 119' ' ' VAL . 5.5 pt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.607 ' C ' HD23 ' A' ' 31' ' ' LEU . 58.4 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.967 0.413 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.046 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -56.51 -23.11 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.75 -41.77 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -90.95 -65.73 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -39.32 -34.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -39.36 -43.14 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.1 -42.6 99.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.4 tp10 -43.62 -36.37 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.88 -55.51 4.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -52.23 -46.78 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 6.4 pt-20 -59.57 -28.92 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -74.11 -48.58 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 6.1 ptpt -51.29 -16.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.3 m -103.35 -24.74 13.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 118.51 -28.92 6.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.468 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.0 93.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 15.1 m-85 -80.25 -49.45 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.17 -27.76 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.427 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -91.57 -57.01 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.3 -40.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.2 tm? -68.68 -42.53 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.9 -45.32 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -52.79 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.11 -31.31 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 m -63.69 -59.23 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -49.51 -53.32 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.046 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -45.54 -41.12 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -33.92 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.12 36.95 2.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.0 mt -142.67 155.19 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.12 85.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB3' ' OE1' ' A' ' 64' ' ' GLN . . . -119.5 141.23 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.55 159.52 0.68 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.704 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.48 28.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.325 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.24 -23.76 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.25 -37.93 31.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.61 ' OE1' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -57.13 -58.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.0 -39.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.51 -55.52 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.7 -25.62 54.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -71.27 -52.88 16.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -58.79 -26.08 63.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.58 -53.81 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HE ' HD21 ' A' ' 48' ' ' LEU . 37.0 mtp180 -44.07 -51.01 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.72 -47.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.74 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.3 m -46.36 -55.54 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -54.96 -50.5 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.9 mt -48.87 -52.73 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -62.41 -33.39 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' GLU . 8.6 mt -90.67 45.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 5.8 tm-20 33.4 50.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -129.54 49.6 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.483 ' CG ' ' HG2' ' A' ' 111' ' ' LYS . 34.9 m-85 -60.8 -37.07 80.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.57 -53.47 18.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' ALA . 83.8 mttt -70.35 -53.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -37.51 -44.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -49.58 -48.56 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 m -57.37 -55.53 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' ALA . 81.5 mm-40 -49.68 -62.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.47 -58.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -54.02 -52.11 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -49.2 -48.17 45.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.43 -20.95 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' GLY . 97.9 mt -85.43 -59.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -54.89 -15.59 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -70.33 -59.2 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -107.45 -37.7 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 99.67 -54.24 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.82 59.64 4.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -123.11 77.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.765 HG21 ' OE2' ' A' ' 129' ' ' GLU . 18.2 m -57.99 -24.87 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -55.13 -56.42 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.36 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 99' ' ' VAL . 6.7 mt -58.97 -50.9 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -59.81 -37.1 78.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -69.09 -48.6 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -49.18 -41.7 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.452 ' HA ' HD12 ' A' ' 109' ' ' LEU . 53.1 p -53.64 -43.21 68.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.96 -46.98 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.71 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.495 HD11 ' OD2' ' A' ' 121' ' ' ASP . 40.5 mt -65.83 -59.3 4.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.83 -28.59 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.2 tppt? -77.45 -51.27 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.88 -22.71 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 34.35 3.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -118.09 59.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 119' ' ' VAL . 16.8 mt -60.29 -25.28 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -64.59 -38.84 92.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.615 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.5 mp0 -81.24 -44.39 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.37 -36.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 142' ' ' ILE . 63.4 t -66.57 -55.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 117' ' ' GLN . 5.6 mt -52.45 -51.97 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.495 ' OD2' HD11 ' A' ' 109' ' ' LEU . 13.9 m-20 -58.08 -44.47 87.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 126' ' ' VAL . 31.7 mt -67.96 -29.89 69.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -62.72 -18.28 62.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.433 ' HD3' HD21 ' A' ' 102' ' ' LEU . 43.4 mtp180 -86.16 -56.02 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 31.5 p -48.7 -21.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 122' ' ' LEU . 58.9 t -85.65 -29.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.6 t -72.56 -57.49 4.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.5 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.9 mt -61.67 -18.97 61.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.765 ' OE2' HG21 ' A' ' 99' ' ' VAL . 12.5 mt-10 -135.04 95.56 15.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.8 Cg_endo -69.67 -43.59 2.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' LYS . 25.2 mtpt -71.78 -38.35 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.8 m-80 -47.14 91.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' LYS . 7.7 ttmt -74.26 -37.23 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 87.4 t -39.98 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.3 m-85 -79.48 -55.65 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -50.6 -46.04 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.55 -33.5 73.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -79.33 -33.67 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -46.46 -21.21 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -68.94 -60.95 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.483 HG13 HG22 ' A' ' 119' ' ' VAL . 4.4 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.2 p -42.98 -33.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -81.79 -41.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.25 -64.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.2 pp -42.99 -28.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -38.8 -45.98 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -55.5 -41.17 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tp10 -47.48 -38.64 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.15 -63.5 3.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -54.87 -53.07 60.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.96 -39.93 9.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -74.13 -33.61 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -68.37 -50.85 50.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -60.89 -9.25 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 t -104.43 -22.78 13.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.43 -29.05 7.83 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.35 92.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -79.51 -47.26 15.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.36 -34.74 9.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -87.79 -53.83 2.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -38.07 -48.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.58 -49.75 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.04 -40.87 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.08 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -55.92 -37.78 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.5 m -53.75 -54.49 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -57.02 -58.82 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -40.14 -43.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD12 ' HD2' ' A' ' 71' ' ' ARG . 28.2 mt -73.48 -39.55 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.93 -44.36 55.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.1 mt -67.13 160.17 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.07 82.23 8.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -101.95 169.85 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -55.69 158.75 5.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.24 35.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.532 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.8 tt0 -87.55 -35.24 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -68.67 -45.35 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 19.5 mt-30 -51.29 -55.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.91 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 62' ' ' GLN . 79.6 t -59.29 -37.14 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.84 -32.6 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -64.07 -50.38 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 7.4 ptm180 -59.85 -20.88 59.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -84.16 -55.95 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HD2' HD12 ' A' ' 55' ' ' LEU . 62.4 mtp180 -37.05 -53.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . -41.24 -59.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . . . -36.7 -50.31 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.31 -50.36 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 10.4 m-70 -56.56 -52.19 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.3 mt -48.51 -49.71 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -64.68 -37.08 86.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.3 mt -86.32 39.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 37.64 43.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -120.85 43.14 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -55.03 -31.24 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' HA ' HD21 ' A' ' 112' ' ' LEU . 5.0 m-20 -52.42 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -69.05 -35.87 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . . . -45.53 -60.02 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -46.7 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.8 m -50.6 -54.67 20.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.77 -52.71 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.35 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.3 t -52.83 -43.91 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -55.86 -40.84 73.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.65 79.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' GLY . 80.2 mt -68.84 -58.78 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.27 -46.81 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -41.47 -57.02 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -104.86 -68.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 129.49 -48.45 0.97 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -96.14 47.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -108.46 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.015 HG13 HD22 ' A' ' 128' ' ' LEU . 11.6 m -73.9 -15.16 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 43.2 mmtt -62.23 -56.48 18.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 69' ' ' ARG . . . -65.88 -30.05 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 99' ' ' VAL . 11.0 mt -59.12 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -42.8 -34.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -77.76 -52.06 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -38.84 -59.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.2 p -41.07 -48.28 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 111' ' ' LYS . 93.6 mm-40 -42.3 -45.39 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -71.28 -59.01 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.46 HD22 ' HD3' ' A' ' 114' ' ' ARG . 87.4 mt -37.72 -54.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.8 -39.1 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -75.09 -24.88 58.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 82' ' ' ASP . 83.3 mt -88.29 5.87 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.93 19.16 65.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.46 ' HD3' HD22 ' A' ' 109' ' ' LEU . 95.9 mtt180 -105.56 82.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.0 -51.2 57.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.75 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.6 mp0 -67.45 -49.15 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.47 -39.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.68 -50.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.0 mt -55.17 -50.18 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.422 ' OD2' HD23 ' A' ' 102' ' ' LEU . 8.3 t70 -52.39 -53.09 49.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 123' ' ' GLN . 39.5 mt -60.97 -52.2 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 122' ' ' LEU . 55.1 mt-30 -35.02 -38.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -63.21 -51.77 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 122' ' ' LEU . 34.6 m -46.29 -27.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.78 -39.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.7 t -63.85 -62.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.015 HD22 HG13 ' A' ' 99' ' ' VAL . 2.5 mp -52.73 -46.01 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -120.95 91.64 47.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.85 17.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -37.48 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.8 m-80 -52.36 107.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -82.17 -30.62 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 41.3 t -49.57 -27.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.7 m-85 -82.34 -41.98 19.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.36 -37.92 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -41.26 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.461 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -64.25 -68.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 138' ' ' ALA . 4.3 tp -33.0 -66.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' LEU . 16.6 mmm180 -35.76 -42.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 138' ' ' ALA . 20.5 m-20 -47.39 -65.76 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.2 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.903 0.382 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -49.51 -44.05 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.0 -25.44 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -91.08 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -45.63 -26.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -39.52 -39.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -67.75 -38.88 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.6 tp10 -47.25 -48.4 24.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -58.17 10.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -48.52 -62.46 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -40.01 -38.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 47' ' ' ALA . 74.9 mt -73.48 -38.1 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ASN . 20.9 t80 -68.53 -52.93 26.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -67.42 -3.47 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -109.54 -10.85 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.36 -31.53 8.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.49 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CZ ' ' HE3' ' A' ' 77' ' ' LYS . 29.7 m-85 -86.52 -48.64 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.78 -35.41 7.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.428 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -86.61 -55.29 2.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.478 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -37.37 -50.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.786 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.3 tm? -56.03 -51.99 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.13 -51.91 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 -48.05 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -55.95 -43.02 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -53.88 -43.63 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -54.98 -51.52 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.58 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -48.53 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 HH11 ' A' ' 71' ' ' ARG . 43.5 mt -50.29 -40.14 47.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.29 -42.13 72.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ALA . 59.2 mt -77.37 138.64 39.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.45 80.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.63 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -93.46 177.61 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 157.11 89.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.08 36.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.76 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.22 -40.01 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' HD12 ' A' ' 67' ' ' LEU . 65.7 mt-30 -56.45 -53.27 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.45 -47.88 13.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG13 ' NH2' ' A' ' 69' ' ' ARG . 23.7 t -61.92 -34.46 63.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 64' ' ' GLN . 11.9 mt -74.0 -33.83 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.722 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 25.9 m-70 -61.47 -37.43 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.446 ' NH2' HG13 ' A' ' 66' ' ' VAL . 16.1 ptt180 -81.35 -23.93 37.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.08 -49.48 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.599 ' HD2' HD22 ' A' ' 48' ' ' LEU . 30.7 mmm-85 -49.4 -56.64 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.581 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -44.3 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.0 m -39.54 -51.37 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 9.5 m-70 -54.11 -53.02 58.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 73' ' ' ALA . 29.2 mt -48.51 -45.5 37.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 23.1 mmmt -68.13 -36.53 79.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.64 39.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 38.77 49.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 57.6 m-20 -123.13 27.04 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 m-85 -41.88 -47.08 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 112' ' ' LEU . 30.8 t70 -36.93 -58.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -69.01 -45.09 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.91 -56.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE2' ' CG ' ' A' ' 105' ' ' ARG . 38.6 tp10 -41.67 -64.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -45.79 -58.3 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.0 mm-40 -49.91 -61.07 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -33.91 -58.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.442 ' HA ' HD12 ' A' ' 92' ' ' ILE . 35.0 t -49.55 -48.66 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -50.14 -43.74 52.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.722 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -68.49 -16.94 64.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 89' ' ' SER . 84.7 mt -89.41 -65.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -41.81 -47.75 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 19.2 mmtt -36.9 -51.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.15 -64.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.44 -50.51 0.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.86 47.44 2.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -113.48 90.96 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 102' ' ' LEU . 8.5 m -67.56 -39.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.41 ' N ' HG23 ' A' ' 99' ' ' VAL . 8.4 mmtp -41.25 -42.39 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.42 60.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 99' ' ' VAL . 12.8 mt -56.55 -54.0 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.81 -43.23 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.2 mmt-85 -61.48 -30.06 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.4 ' CG ' ' OE2' ' A' ' 85' ' ' GLU . 44.4 ttp180 -71.59 -49.13 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 p -51.25 -30.66 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -65.6 -31.41 72.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.12 -41.66 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.538 ' CD2' ' CZ ' ' A' ' 114' ' ' ARG . 47.8 mt -56.98 -41.3 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -58.14 -43.06 87.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.548 ' HE3' ' CE1' ' A' ' 81' ' ' TYR . 19.5 mmtt -75.8 -17.33 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 82' ' ' ASP . 65.1 mt -91.85 6.55 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.72 18.1 77.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.538 ' CZ ' ' CD2' ' A' ' 109' ' ' LEU . 65.8 mtp180 -107.34 53.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' ASP . 50.9 mt -55.29 -58.76 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 115' ' ' LEU . 31.6 m-20 -34.7 -44.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.719 ' HA ' HD12 ' A' ' 120' ' ' LEU . 14.3 mm-40 -73.17 -48.12 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.47 -40.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.499 HG13 HD21 ' A' ' 139' ' ' LEU . 19.1 t -67.77 -44.13 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 117' ' ' GLN . 12.1 mt -62.08 -40.95 97.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -28.58 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.616 ' CB ' HD12 ' A' ' 139' ' ' LEU . 84.7 mt -82.23 -36.37 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -55.45 -13.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -90.19 -56.03 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.5 p -50.87 -27.27 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.46 -28.26 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 t -79.46 -53.87 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.498 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 8.0 mt -58.2 -29.21 65.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.409 ' HG2' HG21 ' A' ' 99' ' ' VAL . 15.9 mm-40 -128.52 85.83 59.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -0.03 6.36 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.664 2.242 . . . . 0.0 112.38 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 133' ' ' LYS . 6.4 ptpp? -107.86 -40.09 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.415 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 4.4 m120 -54.45 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' LYS . 34.4 mtmm -66.09 -37.0 84.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.4 t -40.77 -35.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.415 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 14.3 m-30 -68.49 -57.98 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.95 -40.97 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.1 -43.67 86.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.31 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.616 HD12 ' CB ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -63.63 -32.88 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -74.51 -10.05 59.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -98.7 -24.45 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.8 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.7 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.924 0.393 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.981 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.1 p -57.94 -35.91 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.09 -39.73 63.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 32' ' ' ARG . 48.7 tt0 -86.74 -66.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.58 -32.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.84 HH21 HG22 ' A' ' 28' ' ' VAL . 6.2 ttm180 -35.01 -56.4 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -46.14 -42.37 13.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 7.6 tp10 -44.71 -47.45 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.03 -50.03 14.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -48.45 -56.85 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.35 -44.41 16.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 46' ' ' GLY . 12.9 mt -63.77 -29.59 70.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -75.35 -54.68 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -58.88 -10.71 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 t -103.77 -23.71 13.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.49 -29.74 6.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.07 96.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -81.67 -51.88 7.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.1 -36.05 9.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.486 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -82.68 -56.41 2.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.9 -44.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.345 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.494 HD21 ' NH1' ' A' ' 71' ' ' ARG . 2.1 tm? -61.03 -47.91 84.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.16 -54.99 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.36 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -54.24 -41.46 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.7 m -53.7 -54.2 41.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ALA . 7.4 mt-30 -50.0 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.981 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -37.55 -51.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.92 -42.76 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -44.53 23.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 mt -71.35 155.83 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.2 83.29 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.715 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -101.25 160.16 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -43.35 154.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.28 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -87.68 -33.07 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.69 -45.63 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 67' ' ' LEU . 12.6 mt-30 -46.23 -62.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' GLN . . . -37.1 -46.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.9 t -57.22 -40.7 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 64' ' ' GLN . 9.6 mt -71.79 -40.55 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -56.82 -58.31 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -51.08 -35.31 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' ARG . 57.9 m-20 -63.6 -57.94 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' NH1' HD21 ' A' ' 48' ' ' LEU . 66.9 mtp85 -37.1 -53.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.6 -53.45 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -45.77 -48.08 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -54.76 -52.91 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.44 ' CD2' ' OE2' ' A' ' 87' ' ' GLU . 56.5 m-70 -59.81 -53.86 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.7 mt -43.39 -47.11 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -69.26 -33.38 73.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.5 mt -87.04 42.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.1 mt-10 37.01 36.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -121.35 45.72 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 111' ' ' LYS . 35.1 m-85 -53.52 -43.48 68.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 112' ' ' LEU . 4.8 m-20 -37.09 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' ALA . 13.5 mtpp -61.03 -51.0 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.25 -53.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.459 ' OE2' HD23 ' A' ' 109' ' ' LEU . 4.2 tt0 -44.34 -60.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.414 HG22 ' HE2' ' A' ' 90' ' ' LYS . 94.9 m -52.0 -49.08 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' OE2' ' CD2' ' A' ' 75' ' ' HIS . 1.5 mp0 -50.61 -50.74 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.32 -50.84 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.6 p -50.56 -45.73 57.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HE2' HG22 ' A' ' 86' ' ' THR . 26.0 mttm -50.72 -43.19 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.76 -31.69 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.52 -51.33 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.79 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -44.16 -61.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -108.31 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.74 -43.38 1.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.48 ' CA ' HD21 ' A' ' 128' ' ' LEU . . . -101.4 59.98 0.61 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.33 91.83 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.514 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 1.5 m -59.94 -39.95 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 27.3 mmtp -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.61 -46.09 20.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.36 -45.66 62.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -57.89 -33.86 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -74.88 -49.53 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -47.08 -57.61 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.6 p -44.7 -49.1 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -44.62 -49.79 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.96 -53.76 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.459 HD23 ' OE2' ' A' ' 85' ' ' GLU . 56.3 mt -43.58 -55.26 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -50.94 -44.41 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.523 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 7.6 mptt -63.68 -46.76 84.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 82' ' ' ASP . 29.5 mt -62.65 -28.94 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 126.38 -22.14 5.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.57 89.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -79.13 -65.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -40.28 -35.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -65.49 -49.14 70.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.02 -38.17 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.458 HG22 HG13 ' A' ' 142' ' ' ILE . 44.8 t -65.11 -53.43 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.32 -41.25 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.6 -48.66 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.57 -50.04 74.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -39.31 -40.61 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 127' ' ' SER . 71.3 mtt180 -60.51 -48.41 81.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 62.1 m -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.37 -36.75 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.6 t -58.34 -58.07 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.514 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.0 mp -61.17 -34.71 75.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.436 ' HG3' HG11 ' A' ' 99' ' ' VAL . 12.6 mt-10 -124.55 89.43 52.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 52.9 Cg_endo -69.83 3.06 3.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.3 OUTLIER -114.95 -44.44 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.574 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 2.0 t-20 -36.19 115.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -87.87 -27.43 22.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -55.86 -33.19 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 9.9 m-30 -75.1 -44.31 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -61.03 -43.75 98.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 5.5 pt-20 -66.91 -37.89 85.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.65 84.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 141' ' ' ASN . 3.7 tp -67.89 -63.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -39.53 -26.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 139' ' ' LEU . 62.6 m-20 -68.03 -62.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 119' ' ' VAL . 6.5 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.941 0.401 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -48.97 -43.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.33 -30.38 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.5 tt0 -90.6 -69.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -39.57 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -44.46 -44.46 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -57.41 -42.96 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -46.41 -43.1 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.84 -60.92 5.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -52.91 -57.86 8.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -40.38 -44.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.1 mt -69.96 -31.74 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' ASN . 17.4 t80 -70.39 -50.95 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.4 ptpt -61.19 -8.93 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.96 -20.42 13.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.0 -36.13 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -51.66 93.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -80.06 -45.44 18.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.16 -31.21 11.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.34 -54.55 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.84 -41.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.98 -43.01 79.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.97 -46.02 71.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.97 72.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -54.76 -35.94 64.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -57.08 -56.6 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.79 -48.73 72.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -43.86 -51.86 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.1 -41.1 95.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.39 -41.0 47.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.6 mt -77.52 143.64 38.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 6.0 p-10 -67.69 88.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.967 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -106.29 171.52 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.61 158.68 4.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.99 33.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -88.35 -26.11 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.506 ' O ' HD12 ' A' ' 67' ' ' LEU . 11.3 m-20 -84.05 -31.64 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 15.6 mt-30 -60.74 -32.47 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . . . -76.8 -67.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ALA . 12.1 p -37.15 -29.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 63' ' ' ASP . 12.9 mt -82.41 -47.27 12.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 22.2 m-70 -53.1 -49.02 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 69' ' ' ARG . 6.5 ppt_? -65.82 -23.23 66.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -79.5 -49.64 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -41.31 -50.58 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.41 -47.97 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.58 -66.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.51 -48.57 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -59.47 -53.37 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.3 mt -44.92 -49.09 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -64.43 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.6 mt -94.61 43.84 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' LEU . 24.6 mt-10 36.8 43.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -119.53 42.55 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.9 m-85 -56.27 -39.12 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -56.76 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -72.29 -31.7 65.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -57.37 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 10.3 tm-20 -39.75 -53.27 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.5 m -54.13 -67.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -36.77 -40.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . -56.91 -50.65 71.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -64.03 -34.16 77.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -79.52 -44.48 21.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.428 HG13 ' HB3' ' A' ' 101' ' ' ALA . 33.7 mt -59.58 -45.77 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.49 -37.05 86.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -59.18 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -81.09 -56.82 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 87.2 24.15 38.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.12 25.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -111.1 132.56 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.913 ' HA ' HD12 ' A' ' 102' ' ' LEU . 11.1 m -91.12 -27.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -42.94 -48.06 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB3' HG13 ' A' ' 92' ' ' ILE . . . -68.27 -49.78 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 99' ' ' VAL . 13.8 mt -44.41 -56.01 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -56.6 -39.72 74.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -63.42 -45.76 89.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -51.77 -54.43 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 p -47.75 -48.65 29.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -51.12 -32.22 21.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.43 -42.62 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.3 mt -53.92 -47.54 71.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.52 -57.69 11.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -53.5 -43.2 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.39 -23.59 66.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.81 -5.98 18.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -89.19 82.76 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.6 mt -75.98 -53.17 8.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.25 -45.17 23.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.743 ' HA ' HD12 ' A' ' 120' ' ' LEU . 14.5 mm-40 -63.46 -53.2 55.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLN . . . -35.55 -46.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.517 HG13 HD11 ' A' ' 139' ' ' LEU . 39.2 t -62.77 -42.7 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 117' ' ' GLN . 24.0 mt -59.89 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.48 -34.33 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 124' ' ' ARG . 32.1 mt -73.14 -43.87 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -43.67 -23.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 122' ' ' LEU . 68.0 mtt-85 -84.2 -56.62 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 29.7 p -51.17 -21.3 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.2 t -84.15 -30.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.4 t -77.01 -40.5 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.492 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -68.48 -27.79 66.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 64.2 mm-40 -133.31 96.62 17.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.9 Cg_endo -69.77 -33.16 17.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -76.04 -42.62 47.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.52 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 2.1 m-80 -51.39 102.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 136' ' ' GLN . 32.9 mttp -79.12 -38.56 35.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 73.8 t -42.61 -27.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 21.9 m-85 -83.68 -35.72 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' LYS . 30.7 mt-30 -75.22 -33.27 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.492 ' OE2' ' HB2' ' A' ' 138' ' ' ALA . 0.3 OUTLIER -71.56 -34.67 70.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.492 ' HB2' ' OE2' ' A' ' 137' ' ' GLU . . . -73.7 -26.58 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.517 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -70.17 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -70.28 -24.51 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 137' ' ' GLU . 44.2 m-20 -65.36 -38.66 90.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLN . 49.2 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.009 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.4 p -42.46 -37.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 17.4 tt0 -71.12 -38.35 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.9 tp60 -81.18 -68.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -40.74 -29.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' NH1' ' O ' ' A' ' 29' ' ' GLU . 3.1 ttp-105 -38.32 -50.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -50.89 -42.32 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.6 tp10 -46.76 -48.81 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.95 -60.8 8.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 39' ' ' PHE . 64.5 m-80 -53.76 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' ASN . 17.7 mt-10 -37.77 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.453 HD13 ' C ' ' A' ' 46' ' ' GLY . 40.3 mt -84.02 -38.43 20.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' ASN . 33.0 t80 -65.92 -53.18 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.23 -11.89 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 t -105.48 -21.44 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' TYR . . . 117.36 -38.31 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.88 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' GLY . 29.3 m-85 -82.42 -46.5 13.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.19 -36.47 15.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.453 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -88.26 -51.69 3.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.31 -50.31 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.679 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.1 tm? -57.39 -52.52 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.21 -54.19 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.51 -51.24 49.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -54.42 -41.39 69.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -56.67 -43.25 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -61.65 -58.51 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.009 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -44.63 -51.42 9.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.6 mt -61.03 -29.13 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.1 33.79 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' ALA . 58.4 mt -145.32 144.51 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.96 82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -108.93 164.45 12.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.47 158.54 20.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -86.93 -21.1 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 67' ' ' LEU . 1.2 m-20 -92.22 -32.36 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 43.0 mt-30 -61.23 -29.18 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -79.59 -66.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 10.0 p -36.94 -32.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 63' ' ' ASP . 11.0 mt -71.68 -45.44 61.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ALA . 20.9 m-70 -56.04 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 66' ' ' VAL . 21.7 ptt85 -51.38 -23.75 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 59.1 m-20 -81.11 -51.16 8.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.636 ' HE ' HD21 ' A' ' 48' ' ' LEU . 64.5 mtp180 -45.47 -52.11 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.82 -47.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -48.45 -62.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.9 m -46.5 -54.69 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.596 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 46.7 m-70 -51.22 -58.46 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.791 HD21 ' HB2' ' A' ' 108' ' ' ALA . 14.3 mt -45.79 -42.63 12.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -69.35 -44.66 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.6 mt -79.91 44.22 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.4 tt0 36.47 36.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -117.0 45.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.464 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 23.6 m-85 -60.66 -34.98 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.63 -63.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -72.37 -41.64 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . . . -41.86 -52.07 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.445 ' OE1' ' CD1' ' A' ' 112' ' ' LEU . 4.9 tt0 -48.05 -60.12 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.8 m -45.31 -52.62 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -43.73 -65.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' SER . . . -41.58 -61.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.431 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . 1.6 t -37.01 -51.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -56.36 -51.81 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.59 -54.7 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.88 -24.62 20.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.49 -33.04 19.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 20.9 mmtt -52.51 -45.53 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -112.6 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.74 -39.61 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.42 42.64 1.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.45 92.6 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.932 HG13 HD22 ' A' ' 128' ' ' LEU . 3.7 m -76.73 -15.21 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -63.45 -47.4 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.63 -30.69 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.894 HD12 ' HA ' ' A' ' 99' ' ' VAL . 37.2 mt -59.44 -51.23 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.63 -40.25 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -75.35 -31.21 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 85' ' ' GLU . 10.3 ttm-85 -58.47 -49.0 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -53.08 -46.37 68.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -48.16 -47.65 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.791 ' HB2' HD21 ' A' ' 76' ' ' LEU . . . -67.93 -53.6 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.669 HD23 ' HD3' ' A' ' 114' ' ' ARG . 12.0 mt -46.8 -46.17 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -50.95 -55.21 18.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 5.9 tptm -51.12 -27.15 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.445 ' CD1' ' OE1' ' A' ' 85' ' ' GLU . 31.4 mt -94.31 28.66 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 52.88 15.2 3.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.669 ' HD3' HD23 ' A' ' 109' ' ' LEU . 27.0 mtp85 -91.53 48.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -60.56 -34.34 74.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -32.01 71.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.484 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.2 mp0 -83.67 -44.63 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.526 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -41.08 -42.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.494 HG13 HD11 ' A' ' 139' ' ' LEU . 77.6 t -66.62 -43.3 90.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 117' ' ' GLN . 13.9 mt -64.47 -36.36 83.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.02 -20.94 51.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 124' ' ' ARG . 21.9 mt -84.28 -52.72 6.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -38.64 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 122' ' ' LEU . 81.3 mtt180 -73.18 -56.3 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.9 p -53.78 -20.26 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.7 t -81.24 -38.52 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.9 t -61.61 -60.34 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.932 HD22 HG13 ' A' ' 99' ' ' VAL . 2.1 mp -48.87 -46.12 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.43 ' HB3' ' CG ' ' A' ' 132' ' ' ASN . 5.6 mm-40 -111.57 94.51 23.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.86 32.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' LYS . 40.8 mmtm -90.55 -46.57 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.43 ' CG ' ' HB3' ' A' ' 129' ' ' GLU . 4.8 m-20 -39.73 96.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -75.58 -21.42 57.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.6 -29.73 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -81.62 -55.25 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -50.35 -35.33 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -31.43 56.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.67 -27.14 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.494 HD11 HG13 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -71.67 -49.67 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -69.58 -17.05 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.17 -37.49 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 118' ' ' ALA . 10.7 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLN . 60.0 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.954 0.407 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.054 HG23 ' HB1' ' A' ' 54' ' ' ALA . 7.2 p -38.58 -33.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.57 -41.79 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -88.67 -63.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.635 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -39.86 -35.65 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' LEU . 23.1 ttt85 -34.5 -48.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -47.88 64.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.5 tp10 -40.67 -39.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.88 -61.34 5.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' PHE . 11.5 m-20 -55.97 -56.35 21.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -39.2 -44.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.64 -34.32 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 36' ' ' ASN . 23.9 t80 -67.43 -53.31 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -58.11 -11.59 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.73 -26.55 12.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.27 -38.15 2.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.86 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.28 -52.97 6.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -34.01 5.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -84.85 -55.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.1 -49.23 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.594 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.1 tm? -57.19 -57.72 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.15 -52.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.94 -51.06 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -54.14 -42.98 70.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.7 m -50.13 -55.14 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.97 -59.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.054 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -46.78 -50.28 18.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.653 HD12 ' HD2' ' A' ' 71' ' ' ARG . 14.8 mt -62.67 -40.47 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.73 -45.62 68.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.499 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.0 163.53 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.53 41.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.742 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -53.08 167.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -53.75 157.21 4.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.67 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.16 32.23 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.65 2.234 . . . . 0.0 112.311 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -92.57 -32.69 14.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -80.98 -25.6 37.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.537 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 32.7 mt-30 -64.76 -31.5 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -75.8 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 67' ' ' LEU . 7.3 p -42.39 -44.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' N ' HG13 ' A' ' 66' ' ' VAL . 18.8 mt -63.29 -39.45 94.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 33.1 m-70 -61.02 -61.36 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -54.25 -30.64 51.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -69.96 -47.35 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.653 ' HD2' HD12 ' A' ' 55' ' ' LEU . 33.1 mtp180 -48.97 -49.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -34.74 -44.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.1 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.3 m -42.76 -48.63 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.47 ' CE1' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-70 -66.65 -51.9 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 81' ' ' TYR . 39.0 mt -46.7 -41.67 15.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -73.99 -39.36 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 79' ' ' GLU . 11.3 mt -84.53 44.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tt0 35.72 46.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.412 ' OD2' ' ND1' ' A' ' 75' ' ' HIS . 35.6 t0 -127.91 37.73 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 111' ' ' LYS . 31.2 m-85 -44.81 -47.79 10.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -34.97 -63.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 14.0 mtpp -57.57 -44.7 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 81' ' ' TYR . . . -46.3 -57.83 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -38.65 -50.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.402 HG22 ' HE2' ' A' ' 90' ' ' LYS . 20.4 m -60.64 -64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -43.29 -25.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 105' ' ' ARG . . . -82.9 -46.5 12.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.0 t -65.25 -21.17 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HE2' HG22 ' A' ' 86' ' ' THR . 0.5 OUTLIER -89.2 -40.63 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.18 -57.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -52.9 -34.85 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 13.6 mmtp -56.65 -40.19 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -103.26 -64.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.78 -54.9 0.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -118.07 55.45 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.98 91.49 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.723 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.6 m -59.0 -41.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 99' ' ' VAL . 19.5 mttp -34.61 -48.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.01 75.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 99' ' ' VAL . 13.5 mt -50.13 -55.47 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -50.25 -44.5 53.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -64.47 -48.91 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 61.6 ttt180 -51.63 -52.11 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.532 ' HA ' HD12 ' A' ' 109' ' ' LEU . 55.0 p -47.19 -48.52 23.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.4 -39.86 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.78 -44.19 61.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 106' ' ' SER . 72.7 mt -53.97 -57.79 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.03 -38.76 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 11.0 mmtm -71.96 -49.63 35.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.3 -27.5 65.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.36 38.15 2.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -119.44 42.06 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.6 mt -42.46 -45.1 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -52.12 -41.66 62.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 120' ' ' LEU . 13.1 mm-40 -77.63 -42.64 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.23 -36.26 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.682 HG13 HD11 ' A' ' 139' ' ' LEU . 44.2 t -72.29 -38.95 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 117' ' ' GLN . 16.8 mt -67.41 -41.47 84.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.53 -41.42 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 142' ' ' ILE . 37.3 mt -71.92 -46.33 58.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -42.46 -39.79 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' SER . 33.7 mtt180 -65.44 -51.02 63.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 89.0 m -39.99 -40.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.66 -39.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 124' ' ' ARG . 23.3 t -62.5 -56.63 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.491 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 12.5 mt -63.22 -38.31 90.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -121.33 92.23 48.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.03 24.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 18.7 pttm -78.98 -45.07 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.581 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 5.5 m120 -47.6 104.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.442 ' HD2' ' NE2' ' A' ' 136' ' ' GLN . 8.1 tptm -83.16 -35.72 25.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 135' ' ' PHE . 16.6 m -46.39 -23.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.4 m-85 -83.42 -40.78 18.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.442 ' NE2' ' HD2' ' A' ' 133' ' ' LYS . 43.6 mt-30 -68.8 -32.8 72.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -35.32 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.89 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.682 HD11 HG13 ' A' ' 119' ' ' VAL . 23.9 tp -68.22 -66.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 139' ' ' LEU . 13.3 ptt180 -34.88 -36.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 139' ' ' LEU . 69.4 m-20 -57.0 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.584 HG13 HG22 ' A' ' 119' ' ' VAL . 8.2 pt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.0 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.923 0.392 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.976 HG23 ' HB1' ' A' ' 54' ' ' ALA . 7.3 p -38.3 -37.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 1.9 pp20? -70.78 -46.63 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' LEU . 5.6 tt0 -83.05 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -36.43 -34.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.697 HH21 HG22 ' A' ' 28' ' ' VAL . 5.9 ttm180 -34.13 -53.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 1.2 mppt? -48.88 -44.6 40.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.663 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 10.2 tt0 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.42 -60.46 4.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -52.94 -56.23 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 40' ' ' LYS . 32.5 mt-10 -41.06 -48.92 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.5 mt -68.88 -39.12 79.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.41 -56.62 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 37' ' ' GLU . 12.7 pttm -64.69 -5.69 6.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.3 t -104.62 -11.74 16.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -17.37 56.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.8 87.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -79.39 -48.09 14.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.39 6.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.03 -38.93 5.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.2 -38.51 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD21 ' HE ' ' A' ' 71' ' ' ARG . 2.5 tm? -66.76 -40.05 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.31 76.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.663 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -57.96 -48.65 79.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB3' ' CD ' ' A' ' 71' ' ' ARG . 17.3 m-85 -54.78 -40.86 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -56.27 -50.94 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.8 mt-30 -53.33 -59.5 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.976 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -37.14 -54.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.16 -37.44 87.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -55.5 -36.55 64.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 28' ' ' VAL . 61.1 mt -78.97 146.92 33.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.09 79.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -94.94 160.71 14.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p -45.75 157.95 0.36 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.85 31.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -94.16 -27.61 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 66' ' ' VAL . 26.6 m-20 -79.7 -36.3 37.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.461 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 19.8 mt-30 -54.58 -31.18 56.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -75.71 -70.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 63' ' ' ASP . 11.6 p -36.9 -29.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ALA . 54.1 mt -77.13 -45.18 27.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.655 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 43.0 m-70 -53.2 -57.54 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -52.55 -27.89 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -78.63 -49.44 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.467 ' HE ' HD21 ' A' ' 48' ' ' LEU . 32.2 mmm-85 -49.03 -47.11 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -48.01 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.07 -67.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.32 -52.38 4.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.522 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 6.3 m-70 -53.67 -65.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 81' ' ' TYR . 10.5 mt -40.63 -33.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.11 -39.47 25.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' HIS . 9.6 mt -89.31 46.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.6 mp0 37.18 54.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -132.48 33.54 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.591 ' HD2' HD23 ' A' ' 76' ' ' LEU . 15.1 m-85 -47.2 -46.93 24.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' TYR . 5.2 m-20 -37.12 -62.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.522 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 20.4 mtpp -63.78 -49.23 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.457 ' CB ' ' HG ' ' A' ' 76' ' ' LEU . . . -42.14 -52.51 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' OE2' ' NH1' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -43.68 -47.78 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.0 m -72.33 -34.12 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 16.2 mt-10 -64.93 -27.4 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.28 -45.81 12.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -64.74 -17.08 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.502 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 18.0 ptpt -92.09 -31.77 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.655 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -75.94 -25.9 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.4 mt -75.69 -56.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -50.2 -35.72 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -66.79 -57.26 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -72.84 -66.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.53 26.89 23.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.66 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -119.28 89.38 3.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.704 ' HA ' HD12 ' A' ' 102' ' ' LEU . 17.6 m -56.55 -35.09 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.14 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -51.1 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 99' ' ' VAL . 18.9 mt -40.0 -50.6 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.56 -44.64 93.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt-85 -60.97 -38.47 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.428 ' NH1' ' OE2' ' A' ' 85' ' ' GLU . 19.7 ttt85 -60.63 -56.83 16.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.4 p -44.77 -47.69 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.05 -42.31 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -73.58 -57.36 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' ALA . 86.9 mt -36.89 -50.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.471 ' HA ' HD23 ' A' ' 115' ' ' LEU . 10.6 mt-10 -55.09 -47.27 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 2.6 mptp? -67.36 -25.26 65.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.2 mt -85.52 6.27 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.25 -1.58 84.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -93.79 83.35 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 110' ' ' GLU . 54.0 mt -83.27 -39.21 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.3 87.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.29 -51.86 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.588 ' O ' HD12 ' A' ' 122' ' ' LEU . . . -39.66 -42.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.404 ' CG2' HD11 ' A' ' 142' ' ' ILE . 43.4 t -65.61 -50.8 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.71 -61.55 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.78 -31.55 11.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 118' ' ' ALA . 20.3 mt -74.98 -49.37 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -38.86 -26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 122' ' ' LEU . 51.4 mtt-85 -77.74 -54.8 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.2 p -47.8 -22.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -81.16 -40.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 t -60.04 -56.61 19.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.493 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.1 mt -58.08 -39.83 79.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -117.86 85.93 23.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.49 33.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -83.28 -59.16 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.542 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.7 t-20 -34.45 120.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -25.52 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.463 ' HA ' ' CG ' ' A' ' 137' ' ' GLU . 77.0 t -55.12 -26.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 22.7 m-85 -78.49 -50.14 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.32 -40.78 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 134' ' ' VAL . 1.0 OUTLIER -65.97 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.62 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -57.39 -50.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -69.5 -19.14 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -73.63 -19.99 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.404 HD11 ' CG2' ' A' ' 119' ' ' VAL . 14.3 pt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.005 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.6 p -38.95 -39.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.3 -51.58 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -66.43 -70.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -39.16 -35.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' LEU . 6.5 ttp85 -35.17 -50.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -47.77 -49.01 29.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.479 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 6.3 tt0 -43.8 -44.58 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.05 -63.46 5.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' C ' ' HE2' ' A' ' 40' ' ' LYS . 55.6 m-80 -57.32 -56.84 16.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 86.3 mt-10 -44.76 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -74.46 -31.76 62.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.9 t80 -71.92 -49.64 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 1.1 ptpm? -62.61 -7.6 5.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.9 t -107.25 -17.49 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.77 -36.31 4.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.26 92.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -81.94 -53.21 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.9 -27.26 4.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.99 -55.57 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.32 -39.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.603 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.3 tm? -68.11 -48.96 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.91 -47.82 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -54.04 -50.39 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -54.82 -36.34 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.8 m -57.18 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -49.74 -56.43 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.005 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -45.1 -55.66 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.0 mt -56.93 -37.14 71.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.92 -46.1 84.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 28' ' ' VAL . 82.2 mt -67.17 152.68 45.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.67 75.74 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.458 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -88.59 164.81 15.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.79 159.12 1.41 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -11.92 31.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -94.23 -25.53 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.15 -28.39 25.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.47 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 22.2 mt-30 -63.74 -31.35 72.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -76.14 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 8.3 p -39.54 -35.71 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.5 mt -74.0 -37.82 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ALA . 32.4 m-70 -60.5 -57.71 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 2.4 ptt-85 -56.98 -23.76 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.429 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 93.2 m-20 -75.13 -49.1 20.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.603 ' HE ' HD21 ' A' ' 48' ' ' LEU . 28.5 mtp180 -43.44 -55.6 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.37 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -48.68 -57.42 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.0 m -54.12 -49.61 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 62.1 m-70 -54.27 -52.67 60.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 81' ' ' TYR . 78.0 mt -46.96 -46.56 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -68.76 -31.23 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 13.1 mt -95.84 40.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 10.9 tt0 36.4 42.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 83.8 m-20 -114.52 31.53 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.621 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 51.1 m-85 -42.1 -52.21 4.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' TYR . 3.4 m-20 -34.36 -57.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.8 -49.92 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.21 -50.91 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.37 -55.93 13.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -56.75 -45.16 82.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.03 -57.13 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 91' ' ' ALA . . . -45.14 -57.71 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 92' ' ' ILE . 29.7 t -43.44 -47.79 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -59.66 -32.96 70.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 88' ' ' ALA . . . -73.52 -18.31 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 89' ' ' SER . 64.3 mt -87.38 -54.39 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.7 -25.11 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -55.69 -60.02 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.42 -52.95 3.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.35 -48.43 0.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.47 55.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.31 102.76 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 12.1 m -70.96 -37.81 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -33.91 -41.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.54 -42.54 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 99' ' ' VAL . 10.3 mt -54.04 -46.55 71.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.36 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -67.67 -31.46 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -69.26 -53.91 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 p -47.8 -22.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -71.9 -49.5 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.39 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.95 -56.65 19.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.519 ' HA ' HD23 ' A' ' 115' ' ' LEU . 25.9 mt-10 -53.97 -39.37 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.621 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -56.01 -43.11 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.6 mt -79.29 8.02 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.39 -23.55 31.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -64.4 78.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 110' ' ' GLU . 60.0 mt -81.7 -41.45 21.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.97 -43.8 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.621 ' HA ' HD12 ' A' ' 120' ' ' LEU . 23.5 mp0 -61.72 -53.7 52.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.444 ' HB2' ' HG3' ' A' ' 110' ' ' GLU . . . -41.4 -44.41 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.46 -55.04 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 117' ' ' GLN . 9.0 mt -51.62 -60.08 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.55 -43.88 35.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.59 -48.51 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -40.3 -35.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -66.67 -50.24 63.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 56.2 m -45.93 -49.41 15.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.89 -24.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -81.01 -44.57 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.497 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -77.55 -25.77 50.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -129.62 87.84 51.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.14 34.24 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -93.95 -46.44 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.516 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 8.6 m120 -50.15 98.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -73.63 -33.25 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 135' ' ' PHE . 34.5 m -47.75 -26.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.516 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 17.4 m-85 -79.01 -48.06 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.86 -32.02 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.26 -37.67 32.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.2 -24.36 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.433 ' O ' HD13 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -71.44 -53.96 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -69.43 -22.88 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -61.67 -38.54 88.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.647 HG23 ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -48.97 -50.38 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -45.6 -45.76 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -73.01 -72.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -37.23 -37.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -35.96 -43.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -58.15 -46.05 86.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 12.8 tt0 -43.51 -44.93 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.94 -61.78 6.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' PHE . 91.3 m-20 -55.35 -54.98 36.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.33 -39.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.87 -30.83 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -65.82 -50.32 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -59.4 -10.42 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.6 t -103.21 -25.96 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.46 -34.1 4.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -49.65 94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -79.03 -44.77 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.62 -37.83 34.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -83.66 -58.86 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.23 -49.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.651 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.2 tm? -57.74 -54.58 45.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.73 -55.57 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -48.99 -50.58 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 20.5 m-85 -55.2 -42.79 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -48.46 -56.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -53.81 -53.98 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -42.16 -58.06 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.23 -42.56 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.36 -48.07 49.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.1 mt -65.85 151.98 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.31 78.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.94 21.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.08 159.99 12.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.11 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.48 14.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -94.95 -38.95 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -34.06 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -48.88 -54.31 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.66 -57.43 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.3 t -48.49 -44.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.89 -50.98 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.645 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . 40.0 m-70 -55.58 -60.23 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -46.21 -33.36 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 15.4 m-80 -76.39 -43.86 38.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.651 ' HE ' HD21 ' A' ' 48' ' ' LEU . 35.1 mtp180 -51.29 -60.19 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -37.86 -40.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -50.08 -58.78 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.8 m -48.99 -46.57 44.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -58.98 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.6 mt -40.96 -43.24 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -67.67 -44.6 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.61 40.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 42.75 43.53 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -119.64 39.68 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 45.9 m-85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.543 ' HA ' HD11 ' A' ' 112' ' ' LEU . 0.8 OUTLIER -35.93 -60.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mttp -63.97 -51.85 62.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -33.97 -62.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -38.66 -61.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.2 m -58.94 -51.39 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.63 -56.71 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.12 -51.9 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -41.69 -37.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ILE . 41.6 mttt -68.06 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 68' ' ' HIS . . . -43.75 -22.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' LYS . 71.0 mt -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 94' ' ' LYS . 4.2 pt-20 -42.0 -48.31 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 93' ' ' GLU . 0.5 OUTLIER -44.42 -72.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.08 -68.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.42 -36.79 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.02 52.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -109.32 94.43 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 22.6 m -61.4 -32.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.0 -55.58 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.64 91.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 99' ' ' VAL . 4.1 mt -48.44 -60.1 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -43.38 -42.78 4.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -69.98 -43.95 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -47.96 -59.89 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' ' 109' ' ' LEU . 80.8 p -45.15 -49.82 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -45.13 -41.76 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.07 45.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 106' ' ' SER . 19.2 mt -51.15 -55.45 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.513 ' HA ' HD23 ' A' ' 115' ' ' LEU . 11.3 mt-10 -45.6 -43.89 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.554 ' HG3' ' CD2' ' A' ' 81' ' ' TYR . 15.4 mmtm -64.51 -34.58 78.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 82' ' ' ASP . 72.9 mt -87.58 27.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.74 33.12 59.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.4 ' HD2' HD23 ' A' ' 109' ' ' LEU . 83.4 mtt-85 -114.04 47.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 110' ' ' GLU . 28.4 mt -58.67 -39.8 81.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -53.1 -39.78 63.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.466 ' HA ' HD12 ' A' ' 120' ' ' LEU . 24.4 mp0 -81.42 -41.53 21.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.64 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.402 ' HA ' HD11 ' A' ' 142' ' ' ILE . 95.4 t -55.83 -53.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 117' ' ' GLN . 10.4 mt -52.29 -47.81 65.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.484 ' OD2' HD11 ' A' ' 109' ' ' LEU . 6.5 m-20 -59.02 -46.06 89.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 123' ' ' GLN . 29.7 mt -62.75 -46.89 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 122' ' ' LEU . 29.6 mt-30 -36.28 -48.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -56.11 -47.98 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 69.6 m -42.39 -51.4 4.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.15 -33.85 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.5 t -65.63 -60.16 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.486 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 7.1 mt -65.9 -33.05 74.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 23.4 mm-40 -123.45 93.75 47.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 54.0 Cg_endo -69.75 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 132' ' ' ASN . 6.7 mtpm? -59.43 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.595 ' OD1' ' CZ ' ' A' ' 135' ' ' PHE . 1.6 t-20 -33.4 116.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 135' ' ' PHE . 2.4 mppt? -92.08 -47.12 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.528 HG23 ' CD1' ' A' ' 135' ' ' PHE . 30.6 m -35.26 -31.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.595 ' CZ ' ' OD1' ' A' ' 132' ' ' ASN . 15.7 m-30 -72.47 -51.37 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 133' ' ' LYS . 35.5 mt-30 -52.5 -47.63 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -65.98 -31.26 72.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.61 60.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.91 -57.69 6.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -65.21 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -55.76 -37.34 68.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.402 HD11 ' HA ' ' A' ' 119' ' ' VAL . 30.2 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.5 p -41.68 -38.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.46 -41.48 97.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.3 tp60 -85.81 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLN . 11.8 ttp180 -41.36 -59.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -46.04 -31.58 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 tp10 -49.68 -56.37 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.47 -28.15 52.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.01 -42.99 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 36.9 mt-10 -69.16 -37.09 78.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -87.33 -49.87 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 pttp -63.34 -8.84 9.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 m -106.4 -22.45 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.76 -33.65 4.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.1 94.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.528 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 18.8 m-85 -84.46 -41.09 16.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.26 -32.58 21.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -90.78 -58.69 1.48 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.24 -43.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 71' ' ' ARG . 2.4 tm? -58.27 -47.92 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.41 -47.11 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.99 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -56.35 -44.86 80.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -50.87 -49.06 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.2 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -47.28 -57.15 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.72 -45.01 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.2 -37.91 11.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.9 mt -76.05 159.84 30.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -77.9 48.77 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.646 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -59.79 148.83 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.63 159.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 111.164 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -18.24 37.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -83.28 -27.73 29.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.33 -36.9 24.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -53.14 -49.44 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -49.09 -40.45 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -63.88 -51.41 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 54' ' ' ALA . 7.0 mt -62.05 -24.56 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.681 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 22.2 m-70 -72.67 -48.96 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.67 -26.72 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -80.78 -54.9 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.486 ' CZ ' HD21 ' A' ' 48' ' ' LEU . 1.4 mmm180 -41.02 -46.86 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.75 -40.21 66.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -60.89 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -38.15 -46.12 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' LEU . 8.5 m-70 -62.78 -61.05 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 81' ' ' TYR . 91.6 mt -41.05 -43.04 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 13.4 mptt -71.88 -34.37 69.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' HIS . 18.3 mt -92.64 37.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 45.27 42.61 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.407 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 29.3 m-20 -119.54 39.33 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.449 ' HA ' HD23 ' A' ' 76' ' ' LEU . 25.5 m-85 -51.8 -41.41 61.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.686 ' HA ' HD21 ' A' ' 112' ' ' LEU . 1.1 m-20 -42.69 -63.25 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' ALA . 34.3 mttp -61.46 -50.9 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.81 -55.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -40.26 -49.15 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -64.23 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.6 mm-40 -41.59 -56.08 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -36.89 -59.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 p -49.02 -56.45 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -45.43 -32.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.681 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -73.91 -34.83 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.85 -57.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 12.9 pt-20 -46.8 -47.94 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 22.7 mmtm -40.91 -62.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 5.6 m-20 -90.5 -69.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.93 -49.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.507 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.81 54.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.81 95.61 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 20.9 m -67.33 -15.16 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -51.92 -44.96 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.23 -31.47 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 121' ' ' ASP . 11.1 mt -62.0 -44.98 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.08 -49.07 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -64.25 -24.96 67.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -65.82 -60.97 2.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' ' 109' ' ' LEU . 70.3 p -45.35 -45.86 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.81 -38.62 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.47 -53.55 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 106' ' ' SER . 27.0 mt -46.28 -45.65 17.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -58.3 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -73.88 -22.67 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 82' ' ' ASP . 65.3 mt -83.71 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.42 -1.2 60.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -97.01 95.44 7.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.3 mt -88.36 -38.56 15.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.73 -50.24 72.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.415 ' H ' ' NE2' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -59.5 -50.12 75.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -41.99 -42.31 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.622 HG22 HG13 ' A' ' 142' ' ' ILE . 75.8 t -63.18 -60.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.9 mt -50.87 -45.21 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.475 ' OD2' HD11 ' A' ' 109' ' ' LEU . 2.1 m-20 -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.61 ' HB2' HD13 ' A' ' 139' ' ' LEU . 22.0 mt -64.87 -35.14 80.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -45.54 -56.95 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -56.71 -36.71 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.12 -34.94 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' A' ' 135' ' ' PHE . 80.9 t -90.32 -43.28 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 t -51.51 -29.94 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.507 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -91.14 -29.33 17.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -122.99 87.14 50.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -1.73 8.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -109.13 -39.53 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.643 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 1.8 m-20 -59.06 99.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 134' ' ' VAL . 15.5 pttt -78.04 -28.42 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 90.4 t -46.66 -29.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.643 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 7.6 m-85 -78.4 -45.28 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -58.11 -42.92 86.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.27 -34.32 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.05 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.61 HD13 ' HB2' ' A' ' 122' ' ' LEU . 16.1 tp -74.99 -42.17 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -62.49 -13.1 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -81.55 -54.66 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.622 HG13 HG22 ' A' ' 119' ' ' VAL . 7.5 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' GLU . 19.8 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.924 0.392 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.026 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.9 p -40.06 -25.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' SER . 15.2 tt0 -81.49 -45.22 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.1 tp60 -84.94 -65.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -41.4 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -40.37 -55.17 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -47.09 -44.68 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -41.84 -41.82 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -65.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -49.23 -47.99 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -49.62 -38.65 32.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.55 -19.19 53.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -79.48 -48.36 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.61 -9.55 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 t -106.03 -18.93 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 112.74 -35.62 4.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.49 96.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 19.6 m-85 -80.35 -48.64 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.93 -33.39 20.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.22 -59.63 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.79 -36.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.53 -47.05 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.89 -40.8 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.31 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 22.8 m-85 -54.08 -30.7 49.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -61.16 -57.58 11.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -52.93 -55.13 25.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.026 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -41.61 -57.11 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.51 -41.69 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.8 14.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.444 HD12 ' H ' ' A' ' 28' ' ' VAL . 71.2 mt -78.23 147.21 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.89 86.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -103.54 163.16 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 160.54 68.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.625 0.726 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.43 30.79 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.36 -27.6 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.87 -45.93 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.838 ' HA ' HD12 ' A' ' 67' ' ' LEU . 45.6 mt-30 -45.12 -60.87 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.779 ' HB2' ' CB ' ' A' ' 94' ' ' LYS . . . -39.01 -45.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 66' ' ' VAL . 2.8 t -61.49 -37.04 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.08 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 64' ' ' GLN . 4.9 mt -75.1 -50.21 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.406 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 18.8 m-70 -49.33 -49.28 44.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' O ' ' CZ ' ' A' ' 104' ' ' ARG . 7.7 ptm180 -66.08 -27.16 67.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 8.0 m-20 -74.23 -32.68 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -70.5 -40.78 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.02 -29.75 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB2' ' HE ' ' A' ' 104' ' ' ARG . . . -66.13 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.7 m -44.3 -55.58 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' LEU . 59.0 m-70 -44.53 -61.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -41.49 -35.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -81.02 -32.19 34.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' HIS . 10.6 mt -95.32 42.65 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 42.04 46.46 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.459 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 27.8 m-20 -124.02 37.81 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 111' ' ' LYS . 9.7 m-85 -53.71 -39.92 65.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.18 -59.07 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -64.79 -43.78 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.61 -44.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.15 -57.43 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.3 m -53.79 -57.61 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -42.89 -58.3 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.553 ' HA ' HD12 ' A' ' 92' ' ' ILE . 4.0 m -56.07 -44.95 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.28 -21.34 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -91.86 -8.05 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 89' ' ' SER . 55.0 mt -91.92 -43.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 13.0 pt-20 -52.84 -52.5 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.779 ' CB ' ' HB2' ' A' ' 65' ' ' ALA . 1.1 mptp? -37.21 -71.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 95' ' ' ASP . 27.4 t0 -77.84 -61.65 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.05 -49.0 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.49 49.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -99.43 119.58 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.4 m -85.77 -26.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -51.7 -42.68 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.75 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 99' ' ' VAL . 9.8 mt -53.2 -57.96 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -46.62 -35.72 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HE ' ' HB2' ' A' ' 73' ' ' ALA . 11.2 mtt85 -71.11 -45.13 64.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -50.33 -52.86 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' GLN . 79.5 p -45.2 -50.17 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' SER . 25.0 mt-30 -38.06 -52.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -66.09 -55.99 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.622 HD23 ' CD ' ' A' ' 114' ' ' ARG . 80.2 mt -39.91 -52.4 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.468 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 14.9 mm-40 -61.33 -31.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.591 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -73.15 -38.7 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.28 3.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 115' ' ' LEU . . . 92.67 -46.9 2.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.622 ' CD ' HD23 ' A' ' 109' ' ' LEU . 2.3 ptp180 -44.97 90.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' GLY . 6.9 mt -91.77 -40.33 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.6 -29.11 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.57 ' NE2' ' N ' ' A' ' 117' ' ' GLN . 2.2 mp0 -81.87 -48.41 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.53 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -42.33 -43.88 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.78 -44.19 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.59 -27.21 68.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.61 -47.49 12.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' CYS . 32.5 mt -63.69 -52.23 61.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LEU . 74.3 mt-30 -37.68 -28.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 122' ' ' LEU . 14.8 mtt-85 -75.64 -44.93 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 122' ' ' LEU . 77.1 m -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.81 -39.99 87.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.5 t -66.32 -45.65 79.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -72.82 -30.92 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.69 87.44 55.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -9.81 27.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -100.58 -52.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -44.66 96.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -71.6 -20.01 62.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.705 HG23 ' CD1' ' A' ' 135' ' ' PHE . 12.8 m -59.21 -21.89 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.705 ' CD1' HG23 ' A' ' 134' ' ' VAL . 12.2 m-85 -88.78 -46.23 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.16 -26.41 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -85.71 -34.08 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.42 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -58.59 3.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -64.65 -10.13 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -82.02 -17.31 47.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.53 HD12 ' HB3' ' A' ' 118' ' ' ALA . 3.5 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.948 0.404 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.4 p -41.39 -35.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.82 -49.28 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' LEU . 1.4 tm0? -81.78 -68.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -34.33 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.1 ttp85 -36.8 -51.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -52.75 -46.99 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -40.58 -39.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.99 -59.94 5.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 39' ' ' PHE . 7.6 m-80 -55.52 -57.01 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -39.47 -37.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 mt -81.28 -32.72 33.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' ASN . 32.6 t80 -68.62 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -6.07 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.5 m -104.89 -21.83 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.77 -34.46 4.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.52 98.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 21.1 m-85 -86.66 -46.82 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 -35.23 7.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.24 -54.99 2.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.94 -54.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.4 tm? -49.85 -57.57 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.51 -52.12 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.79 -46.31 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.15 -46.14 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -45.98 -56.52 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.67 -62.78 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -38.22 -42.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.91 -43.72 57.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.3 -38.36 12.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.05 157.11 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -78.96 45.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB3' ' OE1' ' A' ' 64' ' ' GLN . . . -57.53 169.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -59.72 157.22 29.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -3.96 13.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -94.9 -27.83 15.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.507 ' O ' HG12 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -82.09 -46.31 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.7 ' OE1' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -49.45 -24.56 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -78.76 -63.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 63' ' ' ASP . 10.7 p -49.29 -32.59 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.99 -47.52 36.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -51.22 -52.74 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.2 ptp180 -57.82 -43.44 85.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 6.7 m-20 -58.31 -52.84 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ALA . 35.1 mtm180 -41.5 -51.05 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -37.17 -49.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.27 -53.96 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.6 m -44.01 -48.92 8.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 20.3 m-70 -65.86 -56.5 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.7 mt -40.65 -43.9 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 2.4 mptm? -68.57 -46.36 69.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.46 41.99 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 38.82 47.83 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.449 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 17.0 m-20 -120.2 37.26 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 59.9 m-85 -47.56 -49.7 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -39.59 -63.49 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -66.36 -44.21 83.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.54 -54.23 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.11 -51.56 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.4 m -52.54 -56.39 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -45.73 -48.76 15.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.97 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.7 p -51.47 -46.46 63.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -50.15 -39.62 44.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.93 59.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.42 -40.17 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 5.3 pt-20 -69.15 -35.15 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 39.6 mmtt -53.6 -60.81 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -96.99 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.67 -48.43 0.95 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.05 56.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.02 85.52 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.821 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.722 HG21 ' HG3' ' A' ' 129' ' ' GLU . 28.1 m -63.54 -29.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -47.31 -55.71 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.8 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 99' ' ' VAL . 6.0 mt -52.98 -46.76 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.87 -43.27 90.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' ARG . 13.5 mtp85 -66.45 -51.27 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' ARG . 43.4 ttt180 -38.07 -59.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -41.28 -44.88 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -43.46 -41.3 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.04 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.5 mt -42.92 -61.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -51.09 -47.62 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 11.0 tptt -53.85 -38.21 64.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.68 28.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.28 30.58 55.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -106.38 48.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -56.11 -33.12 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -64.7 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.782 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.0 mp0 -80.41 -45.36 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.46 -46.83 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.51 HG13 HD11 ' A' ' 139' ' ' LEU . 45.3 t -62.52 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.4 mt -46.23 -44.56 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.32 -54.92 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 124' ' ' ARG . 33.0 mt -55.7 -44.23 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 122' ' ' LEU . 32.2 mt-30 -37.57 -31.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -78.88 -57.59 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.435 ' SG ' HD23 ' A' ' 122' ' ' LEU . 20.4 p -49.17 -28.24 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 135' ' ' PHE . 57.5 t -83.57 -28.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.9 t -77.59 -56.77 4.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.502 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 5.7 mt -57.27 -29.78 64.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.722 ' HG3' HG21 ' A' ' 99' ' ' VAL . 10.5 mm-40 -118.73 100.0 51.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -37.32 9.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 133' ' ' LYS . 47.4 mtmt -76.65 -52.14 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.578 ' HB3' ' CE2' ' A' ' 135' ' ' PHE . 3.3 m120 -38.97 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 131' ' ' LYS . 26.7 tttm -77.35 -42.21 37.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 133' ' ' LYS . 84.8 t -35.84 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.627 ' CB ' HG22 ' A' ' 126' ' ' VAL . 18.0 m-85 -72.89 -48.86 33.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 80.6 mt-30 -56.36 -47.31 79.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -63.67 -34.08 77.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.62 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.51 HD11 HG13 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -55.46 -53.72 52.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -65.9 -34.53 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -58.04 -38.31 76.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 119' ' ' VAL . 27.6 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 30' ' ' GLN . 21.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.014 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.8 p -38.23 -39.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -68.18 -41.45 81.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.1 tp60 -86.42 -66.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.585 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -39.39 -27.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.3 ttp180 -38.36 -49.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -54.68 -48.13 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 38' ' ' LEU . 4.4 tp10 -38.93 -36.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.08 -60.44 3.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.2 m-20 -56.47 -52.65 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.7 -34.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 34' ' ' GLU . 18.9 mt -81.95 -28.83 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.4 t80 -66.55 -46.16 77.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.2 -7.27 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.5 m -102.08 -23.46 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.05 10.08 30.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.84 92.69 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 7.9 m-85 -77.79 -35.81 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.53 -35.93 87.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -88.64 -57.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.34 -41.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.0 tm? -65.96 -43.08 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -52.37 -45.67 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.97 71.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -52.98 -40.3 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.5 m -53.23 -59.21 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -48.86 -57.93 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.014 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -44.17 -55.25 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.38 -30.87 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.7 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 59' ' ' ALA . 54.1 mt -139.98 146.43 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.71 76.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -109.55 157.58 18.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 159.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 111.168 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.37 22.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 66' ' ' VAL . 38.3 tt0 -73.8 -24.39 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.38 -41.59 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.7 mt-30 -55.18 -43.24 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.606 HG13 HH21 ' A' ' 69' ' ' ARG . 90.5 t -56.78 -27.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.07 -43.88 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 46.6 m-70 -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.606 HH21 HG13 ' A' ' 66' ' ' VAL . 20.8 ptt180 -60.43 -26.78 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 86.1 m-20 -76.05 -52.09 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.412 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 68.0 mtp180 -46.8 -44.84 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.99 -58.67 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.03 -59.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 7.4 m -44.49 -53.78 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 83' ' ' LYS . 5.8 m-70 -55.32 -57.88 10.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.664 HD23 ' HD1' ' A' ' 81' ' ' TYR . 19.0 mt -38.35 -50.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 23.7 mmtp -61.67 -34.69 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' HIS . 11.1 mt -94.74 40.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 39.23 32.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.42 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 23.3 m-20 -100.84 40.25 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.664 ' HD1' HD23 ' A' ' 76' ' ' LEU . 5.4 m-85 -50.23 -49.55 52.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' TYR . 6.3 m-20 -33.98 -57.5 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . 19.5 mtpt -72.41 -54.05 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -36.73 -65.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' OE2' HD12 ' A' ' 112' ' ' LEU . 11.3 tt0 -42.88 -38.5 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.1 m -77.73 -33.11 53.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.406 ' C ' ' HG2' ' A' ' 90' ' ' LYS . 17.3 mm-40 -68.87 -31.59 70.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.17 -46.98 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.452 ' HB2' ' CD ' ' A' ' 105' ' ' ARG . 38.4 t -63.45 -16.5 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 87' ' ' GLU . 16.5 ptpt -92.75 -26.87 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -83.26 -9.93 58.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.525 HD12 HH21 ' A' ' 105' ' ' ARG . 36.7 mt -85.53 -61.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.64 -33.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -55.94 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.58 -68.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.72 -44.13 1.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.19 40.38 2.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -115.19 69.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.007 HG13 HD22 ' A' ' 128' ' ' LEU . 21.7 m -52.74 -22.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -54.44 -42.23 70.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.7 -27.87 50.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 99' ' ' VAL . 11.9 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -62.76 -20.98 65.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -82.6 -48.1 11.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.525 HH21 HD12 ' A' ' 92' ' ' ILE . 4.1 ttm180 -53.66 -44.33 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.51 ' HA ' HD12 ' A' ' 109' ' ' LEU . 78.9 p -53.82 -46.18 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -45.14 -38.41 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.84 -45.73 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 106' ' ' SER . 21.5 mt -41.16 -57.26 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.473 ' OE1' HD22 ' A' ' 115' ' ' LEU . 16.5 mm-40 -56.12 -43.26 77.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.571 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -53.13 -45.21 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.412 HD12 ' OE2' ' A' ' 85' ' ' GLU . 68.7 mt -82.59 19.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.53 7.72 74.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 70.81 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.473 HD22 ' OE1' ' A' ' 110' ' ' GLU . 20.9 mt -82.42 -26.93 32.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.0 -40.66 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.463 ' HB2' HD22 ' A' ' 109' ' ' LEU . 3.7 mp0 -78.61 -46.39 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.41 ' HB3' ' OE2' ' A' ' 110' ' ' GLU . . . -43.18 -38.85 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.89 -54.59 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.1 mt -56.86 -59.52 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.45 ' O ' HD22 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -48.15 -34.41 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.442 ' HB3' HD12 ' A' ' 139' ' ' LEU . 38.6 mt -79.19 -37.97 36.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.563 ' HG2' HD11 ' A' ' 139' ' ' LEU . 24.1 mt-30 -56.78 -16.27 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -89.11 -25.8 21.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 73.5 m -67.93 -34.71 77.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.66 -34.15 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.8 t -62.27 -65.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.007 HD22 HG13 ' A' ' 99' ' ' VAL . 2.0 mp -52.51 -45.32 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -118.48 84.81 24.7 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -5.08 15.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -101.93 -52.0 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -41.09 123.76 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' GLN . 8.9 mptt -85.77 -42.73 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' LYS . 11.6 t -34.82 -34.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 133' ' ' LYS . 13.7 m-85 -79.4 -45.12 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 133' ' ' LYS . 76.1 mt-30 -57.84 -24.15 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.56 -54.45 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -44.27 -32.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.563 HD11 ' HG2' ' A' ' 123' ' ' GLN . 0.6 OUTLIER -85.96 -43.86 12.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -65.36 -21.05 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -80.38 -54.34 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 25.0 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.954 HG23 ' CB ' ' A' ' 54' ' ' ALA . 3.8 p -58.99 -38.07 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 2.0 pm0 -67.81 -37.34 81.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' ARG . 58.0 tt0 -86.77 -71.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.523 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -33.96 -33.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.58 ' HD2' HD21 ' A' ' 67' ' ' LEU . 7.7 tpt180 -34.23 -58.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -41.61 -49.99 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 8.7 tt0 -42.11 -43.59 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.09 -45.16 89.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.425 ' C ' ' HE3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -68.2 -59.19 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 48.9 mt-10 -41.86 -48.33 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 46' ' ' GLY . 17.7 mt -64.6 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -68.34 -52.74 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 13.5 ptpt -59.01 -10.63 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.76 -24.02 13.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.51 -34.85 4.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -51.27 97.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.471 ' CZ ' ' HD2' ' A' ' 77' ' ' LYS . 21.7 m-85 -82.69 -46.49 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.4 -36.15 29.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.475 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -84.43 -55.89 2.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.458 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -39.45 -51.86 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.747 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.3 tm? -54.19 -56.07 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.51 -51.85 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -56.19 -59.26 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -47.97 -38.37 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.0 m -58.09 -59.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.44 -56.84 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.954 ' CB ' HG23 ' A' ' 28' ' ' VAL . . . -45.14 -49.06 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.79 -32.35 70.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.36 31.64 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.1 mt -137.4 151.31 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.63 86.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.842 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -118.23 155.9 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -48.58 157.0 0.77 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.48 23.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -93.6 -35.73 12.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.455 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -78.69 -26.35 44.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 54.7 mt-30 -66.46 -45.09 80.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -66.32 -56.5 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' A' ' 63' ' ' ASP . 6.3 p -46.67 -38.66 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.58 HD21 ' HD2' ' A' ' 32' ' ' ARG . 21.2 mt -69.15 -38.42 78.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 13.5 m-70 -57.41 -46.52 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.7 ptt180 -70.37 -33.95 72.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 8.6 m120 -59.45 -51.95 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.747 ' HE ' HD21 ' A' ' 48' ' ' LEU . 47.7 mtp180 -43.58 -43.63 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.07 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.17 -59.62 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.89 -48.12 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 58.2 m-70 -50.22 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 81' ' ' TYR . 28.3 mt -37.22 -42.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 44' ' ' TYR . 56.4 mmtt -67.38 -41.95 84.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.9 mt -83.29 42.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 17.9 mt-10 35.55 32.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' LEU . 90.8 m-20 -109.61 39.62 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 111' ' ' LYS . 77.6 m-85 -41.02 -48.04 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -43.46 -53.78 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -54.29 -45.05 72.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.57 -40.25 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -52.51 -46.79 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -74.6 -38.53 62.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.475 ' HA ' ' CD ' ' A' ' 90' ' ' LYS . 62.8 mm-40 -64.47 -32.98 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 -37.22 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 t -76.16 -23.64 54.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 87' ' ' GLU . 9.6 ptmt -87.12 -25.16 24.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -82.34 -35.79 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' GLY . 57.5 mt -64.9 -56.35 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -47.28 -45.98 24.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 7.7 mmtp -49.75 -49.85 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 17.5 m-20 -88.05 -66.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 122.98 -49.51 0.89 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -123.21 65.15 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -122.29 102.94 8.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.606 HG11 ' HG2' ' A' ' 129' ' ' GLU . 3.1 m -66.27 -29.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -44.88 -59.99 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.09 -60.17 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -47.09 -39.23 12.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 -72.6 -39.74 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -52.57 -38.89 60.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -67.36 -22.65 65.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -72.31 -43.02 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD1' ' OD2' ' A' ' 121' ' ' ASP . 43.2 mt -59.98 -55.62 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -43.27 -42.53 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 21.3 mmtt -71.68 -50.42 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.03 -24.92 60.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.95 31.54 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.483 ' NE ' ' OE1' ' A' ' 117' ' ' GLN . 26.4 mtp85 -121.9 82.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.82 -35.17 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.459 ' HB3' ' NE2' ' A' ' 117' ' ' GLN . 16.9 t0 -49.69 -40.39 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.483 ' OE1' ' NE ' ' A' ' 114' ' ' ARG . 1.7 mp0 -82.12 -43.54 17.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.81 -43.1 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.81 -64.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.3 mt -46.11 -52.21 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 109' ' ' LEU . 24.3 m-20 -50.85 -46.13 60.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 139' ' ' LEU . 31.4 mt -64.37 -45.18 88.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.437 ' HG2' HD11 ' A' ' 139' ' ' LEU . 50.1 mt-30 -38.79 -43.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -67.09 -49.12 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 71.1 m -39.54 -47.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.91 -38.17 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -60.19 -40.6 90.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.5 ' HB2' HG12 ' A' ' 99' ' ' VAL . 10.6 mt -78.84 -42.95 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.606 ' HG2' HG11 ' A' ' 99' ' ' VAL . 41.8 mm-40 -115.01 90.21 22.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.5 Cg_endo -69.74 -25.21 28.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 19.1 ptpt -81.37 -42.13 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.51 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 6.3 m120 -54.83 106.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' VAL . 40.8 mtmt -78.43 -43.27 27.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' LYS . 59.0 t -36.16 -42.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.2 m-85 -67.37 -48.76 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -50.07 -21.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 2.1 mm-40 -93.79 -46.38 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.62 -43.64 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -65.64 -71.09 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.426 ' CG ' ' HA ' ' A' ' 137' ' ' GLU . 13.6 ptt85 -42.45 -34.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -54.19 -54.73 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.0 pt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 59' ' ' ALA . 1.4 p -52.23 -48.11 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -50.49 -39.17 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' ARG . 3.3 tp-100 -86.73 -67.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -37.92 -27.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' GLN . 2.2 ttp85 -40.49 -45.79 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -53.06 -50.92 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.728 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 27.2 tt0 -41.23 -40.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.88 -43.9 48.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -69.06 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' N ' ' HE3' ' A' ' 40' ' ' LYS . 51.4 mt-10 -39.56 -44.28 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.7 -34.61 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -69.79 -49.68 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 37' ' ' GLU . 13.2 ptpt -62.87 -7.38 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.7 t -105.37 -19.59 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.05 -33.4 5.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.51 98.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 18.5 m-85 -84.95 -44.36 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.57 -30.45 20.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -92.54 -57.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.95 -35.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 111.055 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.3 tm? -68.66 -46.1 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -49.9 -43.17 49.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.728 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -63.39 -50.97 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -55.79 -36.89 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -55.99 -51.55 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.26 -49.41 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -43.62 -53.53 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.501 HD12 ' HD2' ' A' ' 71' ' ' ARG . 14.0 mt -62.38 -39.05 91.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.2 -44.84 74.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 59' ' ' ALA . 27.0 mt -75.64 134.01 40.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -55.91 84.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.752 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -99.47 153.37 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -37.58 156.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -13.63 34.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -93.96 -19.16 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.562 ' O ' HD12 ' A' ' 67' ' ' LEU . 1.1 m-20 -92.77 -31.23 15.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.6 mt-30 -61.7 -30.32 70.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -77.96 -66.18 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' ALA . 11.4 p -37.53 -36.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 63' ' ' ASP . 10.5 mt -71.97 -46.08 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' ALA . 19.2 m-70 -52.06 -49.95 62.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.43 -23.21 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.68 -47.04 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HD2' HD12 ' A' ' 55' ' ' LEU . 14.2 mtp-105 -57.24 -29.72 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . . . -59.11 -42.93 91.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -54.58 -56.23 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.23 -51.75 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -57.72 -53.24 60.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 81' ' ' TYR . 71.9 mt -47.45 -50.56 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 27.9 mmtm -61.34 -29.13 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.5 mt -97.8 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 4.4 tt0 35.35 45.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ASP . 35.2 t0 -125.77 35.7 4.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.3 m-85 -40.75 -26.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 80' ' ' ASP . 6.9 m-20 -47.27 -68.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' HE3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -61.35 -42.21 98.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.95 -60.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -44.91 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.514 HG22 ' HE3' ' A' ' 90' ' ' LYS . 21.5 m -38.5 -57.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 10.9 mt-10 -52.53 -37.37 57.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 85' ' ' GLU . . . -64.33 -36.3 83.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.4 p -76.01 -27.15 57.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.514 ' HE3' HG22 ' A' ' 86' ' ' THR . 66.5 mttt -74.73 -33.06 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.05 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.0 mt -82.42 -52.43 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 14.0 pt-20 -60.8 -39.52 89.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 17.2 mmtt -54.16 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -94.07 -70.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.43 -55.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.17 57.86 2.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -129.19 96.37 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.0 m -73.83 -23.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -53.6 -35.33 60.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.68 -44.48 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 99' ' ' VAL . 7.1 mt -47.48 -50.73 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.79 -48.42 72.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -54.46 -45.08 73.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -53.32 -54.75 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -48.55 -47.15 39.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.59 -36.92 37.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -82.63 -53.04 6.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 108' ' ' ALA . 78.4 mt -35.76 -56.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -51.17 -55.3 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.54 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 6.8 tptt -53.83 -50.74 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.77 -24.29 61.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.97 -17.55 8.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.73 102.01 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.68 -64.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -37.49 -46.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -61.48 -51.21 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.14 -45.67 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.58 HG13 HD11 ' A' ' 139' ' ' LEU . 40.6 t -70.42 -44.84 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.3 mt -56.82 -55.57 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 121' ' ' ASP . 0.1 OUTLIER -51.17 -35.64 37.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 124' ' ' ARG . 83.2 mt -70.94 -52.88 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -38.82 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' LEU . 69.2 mtt180 -84.28 -46.25 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' LEU . 19.5 p -58.82 -25.94 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.1 t -77.44 -32.48 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -69.44 -53.12 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -63.14 -25.71 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.415 ' HG3' ' ND2' ' A' ' 132' ' ' ASN . 31.8 mm-40 -125.08 88.99 53.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.7 12.56 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 133' ' ' LYS . 16.3 mmmt -110.44 -53.3 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.415 ' ND2' ' HG3' ' A' ' 129' ' ' GLU . 2.0 m-20 -36.62 95.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 131' ' ' LYS . 13.7 mmtp -73.65 -39.51 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.549 HG23 ' CD1' ' A' ' 135' ' ' PHE . 34.1 m -37.59 -32.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.549 ' CD1' HG23 ' A' ' 134' ' ' VAL . 16.3 m-85 -76.66 -51.07 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -51.93 -28.88 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.93 -47.29 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.79 -36.39 64.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.58 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -53.96 -58.86 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -66.77 -35.52 80.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -52.97 -27.8 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 28.2 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.852 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.964 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.5 p -40.19 -30.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.6 -46.68 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.7 tp-100 -87.13 -61.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.7 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -37.75 -32.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.588 ' NH2' HG21 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -39.15 -59.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -43.33 -44.56 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -42.16 -41.67 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.97 -52.3 29.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -54.98 -56.92 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.52 -41.76 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 mt -71.5 -35.34 70.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.4 t80 -66.72 -50.96 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -63.16 -7.33 5.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.14 -23.51 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 -32.7 5.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.35 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -83.33 -49.2 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.14 -32.04 9.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.7 -56.48 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -37.53 -41.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.41 -48.93 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.7 -51.7 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.23 -55.86 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -50.08 -33.93 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.0 m -60.28 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -48.2 -51.21 26.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.964 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -49.61 -50.9 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD1' ' CZ ' ' A' ' 71' ' ' ARG . 19.3 mt -63.63 -46.03 87.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.29 -44.24 27.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.23 148.15 47.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -73.27 85.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.673 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -96.59 174.64 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.28 159.19 31.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.165 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.29 36.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.312 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -89.76 -17.86 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.46 ' O ' HG12 ' A' ' 66' ' ' VAL . 4.7 t70 -93.35 -31.99 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.55 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 13.5 mt-30 -59.91 -21.46 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -83.13 -63.18 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.588 HG21 ' NH2' ' A' ' 32' ' ' ARG . 10.9 p -42.46 -36.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.53 -31.49 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 7.7 m-70 -67.7 -54.05 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.56 HH21 HG23 ' A' ' 66' ' ' VAL . 34.6 ptt180 -61.23 -27.22 68.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 2.8 m-80 -78.16 -56.33 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 55' ' ' LEU . 16.6 mtm180 -39.57 -45.78 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.48 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -41.58 -50.42 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -43.55 -63.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.4 m -38.36 -56.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -54.89 -59.08 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 81' ' ' TYR . 22.0 mt -43.68 -45.25 6.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -64.93 -35.94 82.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.41 35.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 51.19 46.7 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -126.11 74.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.63 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 18.6 m-85 -88.31 -34.7 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.29 -37.61 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -86.1 -46.27 10.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.9 -57.65 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.77 -48.42 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -56.34 -59.73 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 44.1 mt-10 -46.35 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.99 -60.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.3 t -40.89 -56.37 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -49.17 -48.96 44.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.23 -62.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' HG ' ' A' ' 102' ' ' LEU . 70.2 mt -52.24 -25.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.52 -37.17 32.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -59.51 -50.07 75.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.24 -70.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.96 -41.67 1.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.15 53.88 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.13 92.34 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 17.8 m -64.02 -35.72 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 99' ' ' VAL . 14.3 mmmm -37.48 -38.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' A' ' 69' ' ' ARG . . . -82.46 -37.71 25.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 99' ' ' VAL . 7.9 mt -58.28 -40.73 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -69.03 -27.99 66.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -83.33 -32.55 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.8 -45.06 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.8 p -50.5 -45.55 56.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -49.58 -35.05 19.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.08 -55.55 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.1 mt -44.17 -42.72 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.434 ' HA ' HD23 ' A' ' 115' ' ' LEU . 24.0 mm-40 -56.69 -54.38 46.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.63 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -62.53 -26.81 68.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.84 -0.33 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.53 8.51 87.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -97.81 57.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 110' ' ' GLU . 50.6 mt -55.89 -60.49 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' LEU . 3.3 m-20 -35.3 -42.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.809 ' HA ' HD12 ' A' ' 120' ' ' LEU . 19.4 mm-40 -68.88 -50.91 45.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -38.55 -47.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.589 HG13 HD11 ' A' ' 139' ' ' LEU . 30.0 t -63.77 -42.43 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 117' ' ' GLN . 10.6 mt -64.4 -51.14 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.1 -17.09 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.3 mt -92.85 -39.49 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.75 -20.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -88.01 -32.69 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.427 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 94.7 m -54.68 -27.11 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.24 -39.5 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.8 t -61.99 -35.88 79.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.488 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -83.85 -38.98 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.425 ' HG2' HG21 ' A' ' 99' ' ' VAL . 10.4 mm-40 -126.45 84.01 63.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.743 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.03 20.02 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -99.35 -28.05 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.688 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 0.9 OUTLIER -66.1 76.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -46.86 -40.61 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.448 ' N ' ' HG2' ' A' ' 133' ' ' LYS . 28.5 m -39.11 -40.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.688 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 13.9 m-85 -72.13 -52.51 16.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -43.72 -29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -92.65 -52.1 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -41.94 -31.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.589 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -69.42 -57.54 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -34.82 76.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.5 -37.14 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.922 0.392 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.912 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.2 p -50.58 -38.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.27 -34.91 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.4 tp-100 -91.02 -69.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.599 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.09 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.2 ttp180 -34.96 -51.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -52.5 -49.28 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 15.4 tt0 -39.82 -40.44 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.73 -63.56 3.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.1 m-20 -56.17 -53.9 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -42.65 -42.92 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.3 mt -74.77 -32.2 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.797 ' CZ ' ' HB1' ' A' ' 73' ' ' ALA . 19.1 t80 -68.17 -52.51 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -4.22 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.8 t -103.96 -24.44 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.31 -33.34 4.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -59.34 93.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -80.14 -48.07 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.83 -37.4 35.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -81.52 -55.27 3.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.13 -49.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' ALA . 2.7 tm? -54.74 -55.53 29.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -37.42 -57.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -48.45 -55.05 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -50.05 -46.45 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.9 m -49.6 -53.23 25.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -56.37 -58.43 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.912 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -36.92 -54.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.09 -44.72 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.06 -42.78 23.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -73.89 148.38 42.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.13 81.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.699 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -98.17 167.98 10.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 p -52.81 156.24 3.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -94.53 -42.85 8.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.05 -43.81 91.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.833 ' HA ' HD12 ' A' ' 67' ' ' LEU . 31.4 mt-30 -47.76 -55.17 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.16 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.519 HG13 ' NH2' ' A' ' 69' ' ' ARG . 96.9 t -58.03 -39.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 64' ' ' GLN . 5.1 mt -70.02 -42.33 73.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -59.09 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.519 ' NH2' HG13 ' A' ' 66' ' ' VAL . 48.3 ptt85 -63.61 -36.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -69.17 -45.1 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -49.44 -51.64 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . . . -41.4 -40.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.797 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -51.53 -58.22 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.4 m -45.32 -52.82 9.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -57.69 -54.94 41.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 73' ' ' ALA . 50.2 mt -40.37 -47.89 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -68.4 -39.67 81.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.26 40.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.9 47.01 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.71 51.26 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.483 ' CD2' ' HG2' ' A' ' 111' ' ' LYS . 44.8 m-85 -63.11 -43.79 97.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.46 ' HA ' HD21 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -41.61 -61.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mtpt -61.27 -53.47 56.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.66 -51.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -45.11 -47.44 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' LYS . 17.0 m -63.55 -59.67 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 8.8 mt-10 -42.89 -30.48 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.7 -48.06 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.2 t -62.24 -25.47 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -87.09 -35.44 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.6 69.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.86 -63.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 6.4 pt-20 -46.81 -31.61 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 14.1 mmtm -52.88 -59.18 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.36 -56.31 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.23 23.6 21.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.26 35.82 0.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -127.1 80.01 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.047 HG13 HD22 ' A' ' 128' ' ' LEU . 6.2 m -51.3 -37.45 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' VAL . 19.9 mmtp -35.99 -39.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.19 -54.03 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 99' ' ' VAL . 20.3 mt -42.73 -54.69 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -48.15 -43.14 31.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -70.48 -41.43 72.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -51.34 -50.02 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 p -45.38 -44.01 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -49.4 -45.15 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 -43.35 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.455 HD23 ' HD3' ' A' ' 114' ' ' ARG . 40.6 mt -52.39 -58.45 6.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -50.93 -44.88 60.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 10.0 tptt -59.41 -37.43 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 82' ' ' ASP . 7.7 mt -84.83 28.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 54.23 30.58 48.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.455 ' HD3' HD23 ' A' ' 109' ' ' LEU . 73.2 mtp85 -106.47 41.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.5 mt -52.4 -38.16 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.23 -38.54 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.576 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.1 mp0 -78.06 -47.15 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.29 -39.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.752 HG13 HD21 ' A' ' 139' ' ' LEU . 79.6 t -64.56 -55.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 117' ' ' GLN . 6.4 mt -54.25 -44.27 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -49.18 78.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.402 ' HB2' HD12 ' A' ' 139' ' ' LEU . 93.9 mt -63.57 -43.97 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.547 ' CG ' HD11 ' A' ' 139' ' ' LEU . 24.2 mt-30 -42.6 -40.59 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 127' ' ' SER . 43.1 mtt-85 -59.88 -53.81 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.521 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 40.9 m -38.2 -59.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.9 t -48.06 -35.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.4 t -57.35 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.047 HD22 HG13 ' A' ' 99' ' ' VAL . 1.9 mp -55.46 -46.33 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -119.25 99.86 50.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.74 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -24.65 29.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -88.16 -46.5 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.579 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.7 m120 -36.39 117.3 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 136' ' ' GLN . 12.5 ttpt -87.47 -45.07 10.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 133' ' ' LYS . 77.0 t -35.48 -33.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 27.0 m-85 -73.16 -47.46 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 133' ' ' LYS . 64.9 mt-30 -57.37 -50.96 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.3 pt-20 -57.51 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 137' ' ' GLU . . . -63.9 -58.88 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.752 HD21 HG13 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -63.94 -39.36 93.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -66.52 -29.01 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 56.8 m-20 -69.45 -50.99 40.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 49.1 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -165.86 167.53 16.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -146.66 169.34 19.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.813 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.93 -167.24 37.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -168.58 148.57 4.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -148.31 143.57 26.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' THR . . . 168.35 -88.7 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ptm 38.78 37.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 7' ' ' GLY . 22.6 p -95.91 25.17 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.8 t -107.13 148.84 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.2 m -128.62 129.09 45.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.1 146.38 4.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -46.68 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.96 -167.02 18.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 t -173.29 141.39 0.93 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 111.117 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 174.11 10.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -162.87 146.09 8.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.641 0.734 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.07 25.52 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.712 2.274 . . . . 0.0 112.362 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -147.21 144.48 19.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.902 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 159.63 52.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.04 86.86 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -169.1 141.81 2.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.72 . . . . 0.0 111.114 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 159.12 54.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.07 -43.46 2.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.61 94.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -81.71 50.29 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' GLN . 16.8 m -98.94 123.97 43.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.017 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.7 p -35.27 -40.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 5.5 pt-20 -58.72 -46.68 86.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' SER . 38.0 tt0 -90.64 -68.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.38 -42.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' N ' HD12 ' A' ' 31' ' ' LEU . 31.5 ttt180 -36.55 -49.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -46.78 -44.78 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.673 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 18.1 tt0 -42.98 -44.45 4.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.55 -64.03 4.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.43 ' C ' ' HE3' ' A' ' 40' ' ' LYS . 13.1 m-80 -54.54 -46.58 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -51.08 -41.41 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.79 -30.55 62.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -69.35 -49.09 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.7 ptpt -61.32 -8.91 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -104.88 -21.58 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.15 -29.24 7.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.95 93.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.58 -46.31 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.27 -38.61 26.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -82.31 -53.67 3.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.449 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.44 -50.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.88 -53.98 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.47 -51.77 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.673 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -55.46 -54.23 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -53.44 -35.31 60.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -58.94 -58.74 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.6 -51.83 52.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.017 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -47.55 -47.73 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.506 HD12 ' HE ' ' A' ' 71' ' ' ARG . 16.2 mt -68.38 -27.23 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.46 33.23 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -137.1 -179.42 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -88.55 60.18 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.976 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -85.18 166.18 16.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 159.79 80.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.51 36.08 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.366 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -85.47 -23.01 28.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.43 -33.33 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.735 ' HA ' HD12 ' A' ' 67' ' ' LEU . 43.2 mt-30 -57.16 -35.3 69.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.0 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.15 -32.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 64' ' ' GLN . 6.5 mt -73.86 -41.37 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -56.67 -51.88 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -63.7 -24.42 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -76.36 -41.15 49.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.506 ' HE ' HD12 ' A' ' 55' ' ' LEU . 14.9 mtt180 -53.67 -43.52 68.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.64 66.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.92 -50.11 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.2 m -59.8 -48.97 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' LEU . 22.5 m-70 -54.67 -59.16 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.483 HD23 ' HD1' ' A' ' 81' ' ' TYR . 28.5 mt -39.45 -48.96 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -65.89 -32.77 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' HIS . 7.4 mt -96.16 46.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' LEU . 6.1 tt0 36.3 47.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 9.6 m-20 -121.42 43.01 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.483 ' HD1' HD23 ' A' ' 76' ' ' LEU . 6.3 m-85 -55.48 -50.5 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.43 -55.81 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' ALA . 27.9 mttt -72.12 -51.72 20.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.68 -49.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -52.33 -56.77 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 48.3 m -53.37 -57.55 10.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.74 -53.22 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 101' ' ' ALA . . . -46.93 -52.98 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.0 t -49.61 -46.26 49.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.12 -34.5 60.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.25 -20.3 37.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -83.64 -37.66 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.26 -42.73 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -45.7 -57.05 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -110.92 -70.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 129.12 -35.36 2.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.35 23.64 26.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.02 80.27 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.856 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.6 m -62.45 -19.78 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -55.87 -56.74 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 88' ' ' ALA . . . -64.09 -26.6 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 99' ' ' VAL . 22.7 mt -68.23 -51.25 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -60.51 -28.91 68.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -84.77 -39.88 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.429 ' NH2' ' OD1' ' A' ' 121' ' ' ASP . 15.8 ttp180 -55.3 -50.62 69.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -51.58 -49.22 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -48.97 -43.71 40.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.3 -51.77 48.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 112' ' ' LEU . 47.5 mt -50.41 -54.8 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -40.85 -36.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.468 ' HE2' ' CE1' ' A' ' 81' ' ' TYR . 9.3 mptt -77.7 -39.96 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 109' ' ' LEU . 45.1 mt -64.62 -23.35 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.65 -7.2 27.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -89.69 91.39 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 116' ' ' ASP . 20.7 mt -79.7 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.1 m-20 -36.34 -47.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 120' ' ' LEU . 17.4 mm-40 -63.05 -52.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.632 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -45.56 -35.97 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.42 HG13 HD21 ' A' ' 139' ' ' LEU . 21.4 t -72.53 -44.94 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 117' ' ' GLN . 11.7 mt -52.45 -54.41 32.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.429 ' OD1' ' NH2' ' A' ' 105' ' ' ARG . 74.0 m-20 -53.92 -50.48 66.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 125' ' ' CYS . 40.6 mt -55.72 -52.1 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -40.98 -33.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -74.07 -39.48 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 122' ' ' LEU . 60.4 m -54.33 -34.1 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.9 t -66.61 -38.08 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.0 t -61.47 -61.56 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.791 ' HB2' HG11 ' A' ' 99' ' ' VAL . 2.8 mm? -50.12 -55.23 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -110.89 88.78 8.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.697 0.76 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.26 9.9 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -106.61 -43.25 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -51.92 103.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 135' ' ' PHE . 17.8 mtpt -71.38 -34.69 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 133' ' ' LYS . 69.9 t -35.55 -31.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 133' ' ' LYS . 19.4 m-85 -82.14 -51.69 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -47.39 -25.23 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -95.68 -53.02 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -43.6 -28.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.42 HD21 HG13 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -68.58 -59.68 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -62.9 -18.74 63.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.48 -33.2 73.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.632 HD12 ' HB3' ' A' ' 118' ' ' ALA . 5.1 pt -105.29 -22.91 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.3 t -70.39 -30.72 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 49.45 -158.62 1.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 164.16 35.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.6 t -99.78 134.37 42.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.6 m -132.03 166.88 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -161.14 135.2 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -155.77 169.49 24.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -179.48 -41.64 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 67.2 m -35.58 146.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.816 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -163.17 168.85 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.15 145.27 4.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.68 136.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.2 p -134.47 158.61 43.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 p -114.7 141.93 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -166.21 140.07 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.85 154.33 17.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.7 48.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.06 74.46 1.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.623 HG23 ' HD2' ' A' ' 16' ' ' PRO . 88.4 m -126.08 138.17 31.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.173 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 15' ' ' THR . 53.6 Cg_endo -69.76 158.61 56.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -109.28 144.27 29.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 144.8 55.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.4 mtp-105 -102.13 144.07 27.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.78 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.34 -179.8 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -171.42 141.45 1.31 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.164 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 102.91 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.262 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.22 79.66 0.29 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -123.28 46.15 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.659 ' O ' HD11 ' A' ' 57' ' ' LEU . 2.2 m -104.67 -34.85 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 m -64.98 116.8 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.801 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.103 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.7 p -55.04 -24.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -78.36 -46.45 19.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' LEU . 2.9 tp60 -82.54 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.694 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -35.56 -40.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' LEU . 12.0 ttt180 -34.85 -54.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -40.1 -48.89 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 17.0 tt0 -45.65 -43.46 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.36 -62.06 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.4 m-20 -59.05 -57.51 12.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 8.1 mm-40 -39.48 -41.6 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.0 mt -72.18 -35.89 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.3 t80 -68.25 -52.95 28.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -55.65 -13.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.1 t -104.45 -24.43 13.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.78 -29.32 6.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.78 89.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -80.58 -47.16 14.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.95 -35.56 18.33 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.86 -51.15 3.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.23 -43.65 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 71' ' ' ARG . 2.8 tm? -62.0 -51.35 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.53 -50.32 13.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -53.63 -52.13 60.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -52.24 -43.67 64.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -47.19 -59.27 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -50.86 -63.52 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.103 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -38.56 -45.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.2 -42.53 83.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.72 -46.34 30.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.659 HD11 ' O ' ' A' ' 26' ' ' SER . 78.2 mt -65.09 159.1 24.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -80.35 46.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.823 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -58.99 160.64 5.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.81 157.5 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -18.26 36.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -84.91 -31.37 23.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.87 -38.37 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 67' ' ' LEU . 63.1 mt-30 -57.65 -55.38 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.46 ' CB ' ' OD1' ' A' ' 95' ' ' ASP . . . -45.3 -40.97 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.46 -55.54 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' GLN . 9.1 mt -54.2 -30.81 51.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.827 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 8.8 m-70 -65.45 -58.21 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -62.44 -21.59 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -79.08 -54.86 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HD2' HD21 ' A' ' 48' ' ' LEU . 21.8 mtm180 -44.39 -55.02 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.62 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.2 m -43.03 -47.79 5.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 78' ' ' LEU . 37.7 m-70 -58.21 -61.45 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.4 mt -40.32 -44.23 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -70.02 -35.47 74.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.1 mt -92.32 45.42 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.9 mt-10 36.32 46.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -121.09 45.97 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CE1' ' HD3' ' A' ' 111' ' ' LYS . 35.0 m-85 -56.9 -46.86 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -38.05 -57.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.8 mtpt -69.31 -44.15 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.89 -57.19 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -49.41 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.4 m -54.68 -54.14 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.132 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.55 -45.37 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.72 -52.03 65.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.0 p -50.3 -46.53 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -62.65 -41.31 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.827 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -62.39 -41.18 98.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.01 -65.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 11.6 pt-20 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 16.3 mmtp -50.2 -55.76 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.46 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 4.0 m-20 -94.84 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.89 -42.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -111.59 55.14 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -120.1 89.05 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.4 m -69.13 -29.34 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -46.96 -43.08 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.2 60.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.596 HD23 ' OD2' ' A' ' 121' ' ' ASP . 9.5 mt -52.92 -42.4 65.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -59.17 -28.96 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -85.89 -38.18 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -55.29 -35.17 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.4 p -69.88 -26.38 64.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.87 -41.16 97.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.98 -48.67 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.504 HD23 ' HD2' ' A' ' 114' ' ' ARG . 73.2 mt -46.91 -51.18 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -50.16 -50.53 48.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.401 ' HD3' ' CE1' ' A' ' 81' ' ' TYR . 2.2 mptp? -62.29 -33.52 74.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.4 24.37 0.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 56.28 26.45 50.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.504 ' HD2' HD23 ' A' ' 109' ' ' LEU . 95.7 mtt180 -106.21 57.35 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.81 -32.99 74.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.24 -33.28 74.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.679 ' HA ' HD12 ' A' ' 120' ' ' LEU . 2.2 mp0 -84.48 -38.22 20.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.21 -38.51 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 142' ' ' ILE . 53.1 t -66.36 -50.31 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.0 mt -56.24 -61.78 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.596 ' OD2' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -43.14 -39.2 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.697 ' HB2' HD13 ' A' ' 139' ' ' LEU . 54.0 mt -75.79 -40.8 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -47.79 -20.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -87.01 -53.18 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.58 -22.96 9.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 92.3 t -79.74 -25.13 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.1 t -84.05 -57.04 3.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 9.2 mt -54.14 -31.53 52.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -130.1 88.45 48.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -24.23 29.74 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -83.68 -39.04 20.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.4 m-80 -52.78 95.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -71.26 -35.0 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.0 t -45.78 -30.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.498 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 17.0 m-85 -78.51 -59.15 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.76 -39.31 51.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.8 pt-20 -68.19 -33.29 74.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.48 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -75.57 -41.26 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.697 HD13 ' HB2' ' A' ' 122' ' ' LEU . 34.8 tp -67.27 -59.04 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -44.06 -22.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 138' ' ' ALA . 51.4 m-20 -70.62 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.514 ' CG1' ' N ' ' A' ' 143' ' ' SER . 5.5 pt -73.9 -46.46 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.514 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 13.4 t -54.65 -46.49 73.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -55.88 146.2 31.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 146' ' ' SER . 53.9 Cg_endo -69.69 86.26 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 145' ' ' PRO . 4.8 t 34.61 45.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.1 t -103.66 88.4 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -174.9 161.77 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -136.02 171.76 14.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.85 -176.59 35.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -140.61 179.89 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 p -74.29 -67.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.74 -160.72 19.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.8 tpp -158.04 141.61 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -118.13 149.48 40.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.9 t -154.36 133.21 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -115.72 172.39 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.42 83.46 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 174.99 8.78 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.49 133.11 6.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.7 p -124.37 66.52 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 111.177 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' GLU . 54.3 Cg_endo -69.77 -168.17 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.626 2.217 . . . . 0.0 112.332 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . 7.3 pt-20 -37.25 144.14 0.32 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.729 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 84.06 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.395 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -107.96 140.01 21.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.74 2.47 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.01 39.38 23.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -146.35 140.52 15.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.721 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.79 14.75 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.688 2.258 . . . . 0.0 112.377 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.19 60.98 1.58 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.54 50.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.2 m -110.14 75.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.607 ' C ' HD23 ' A' ' 31' ' ' LEU . 58.4 m -123.91 121.69 36.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.046 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -56.51 -23.11 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.75 -41.77 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -90.95 -65.73 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 27' ' ' SER . 0.7 OUTLIER -39.32 -34.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -39.36 -43.14 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -63.1 -42.6 99.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.4 tp10 -43.62 -36.37 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.88 -55.51 4.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -52.23 -46.78 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 6.4 pt-20 -59.57 -28.92 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -74.11 -48.58 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 6.1 ptpt -51.29 -16.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.3 m -103.35 -24.74 13.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 118.51 -28.92 6.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.468 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.0 93.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 15.1 m-85 -80.25 -49.45 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.17 -27.76 5.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.427 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -91.57 -57.01 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.3 -40.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.2 tm? -68.68 -42.53 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.9 -45.32 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -52.79 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.11 -31.31 51.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.4 m -63.69 -59.23 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -49.51 -53.32 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.046 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -45.54 -41.12 9.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -33.92 75.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.12 36.95 2.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.0 mt -142.67 155.19 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.12 85.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB3' ' OE1' ' A' ' 64' ' ' GLN . . . -119.5 141.23 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.55 159.52 0.68 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.704 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.48 28.66 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.325 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.24 -23.76 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.25 -37.93 31.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.61 ' OE1' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -57.13 -58.58 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -41.0 -39.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.51 -55.52 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.7 -25.62 54.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -71.27 -52.88 16.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -58.79 -26.08 63.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.58 -53.81 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HE ' HD21 ' A' ' 48' ' ' LEU . 37.0 mtp180 -44.07 -51.01 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.72 -47.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.74 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.3 m -46.36 -55.54 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -54.96 -50.5 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.9 mt -48.87 -52.73 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -62.41 -33.39 74.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 79' ' ' GLU . 8.6 mt -90.67 45.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 78' ' ' LEU . 5.8 tm-20 33.4 50.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -129.54 49.6 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.483 ' CG ' ' HG2' ' A' ' 111' ' ' LYS . 34.9 m-85 -60.8 -37.07 80.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.57 -53.47 18.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' ALA . 83.8 mttt -70.35 -53.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -37.51 -44.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -49.58 -48.56 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.0 m -57.37 -55.53 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' ALA . 81.5 mm-40 -49.68 -62.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.47 -58.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 t -54.02 -52.11 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -49.2 -48.17 45.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.43 -20.95 63.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' GLY . 97.9 mt -85.43 -59.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -54.89 -15.59 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -70.33 -59.2 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -107.45 -37.7 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 99.67 -54.24 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.82 59.64 4.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -123.11 77.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.765 HG21 ' OE2' ' A' ' 129' ' ' GLU . 18.2 m -57.99 -24.87 24.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -55.13 -56.42 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.36 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 99' ' ' VAL . 6.7 mt -58.97 -50.9 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -59.81 -37.1 78.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -69.09 -48.6 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -49.18 -41.7 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.452 ' HA ' HD12 ' A' ' 109' ' ' LEU . 53.1 p -53.64 -43.21 68.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.96 -46.98 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.89 -38.71 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.495 HD11 ' OD2' ' A' ' 121' ' ' ASP . 40.5 mt -65.83 -59.3 4.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.83 -28.59 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CG ' ' A' ' 81' ' ' TYR . 10.2 tppt? -77.45 -51.27 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.88 -22.71 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 34.35 3.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -118.09 59.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 119' ' ' VAL . 16.8 mt -60.29 -25.28 65.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -64.59 -38.84 92.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.615 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.5 mp0 -81.24 -44.39 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.37 -36.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.483 HG22 HG13 ' A' ' 142' ' ' ILE . 63.4 t -66.57 -55.91 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 117' ' ' GLN . 5.6 mt -52.45 -51.97 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.495 ' OD2' HD11 ' A' ' 109' ' ' LEU . 13.9 m-20 -58.08 -44.47 87.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 126' ' ' VAL . 31.7 mt -67.96 -29.89 69.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -62.72 -18.28 62.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.433 ' HD3' HD21 ' A' ' 102' ' ' LEU . 43.4 mtp180 -86.16 -56.02 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 31.5 p -48.7 -21.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 122' ' ' LEU . 58.9 t -85.65 -29.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.6 t -72.56 -57.49 4.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.5 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.9 mt -61.67 -18.97 61.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.765 ' OE2' HG21 ' A' ' 99' ' ' VAL . 12.5 mt-10 -135.04 95.56 15.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.8 Cg_endo -69.67 -43.59 2.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 133' ' ' LYS . 25.2 mtpt -71.78 -38.35 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.8 m-80 -47.14 91.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' LYS . 7.7 ttmt -74.26 -37.23 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 87.4 t -39.98 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.3 m-85 -79.48 -55.65 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -50.6 -46.04 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.55 -33.5 73.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -79.33 -33.67 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -46.46 -21.21 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -68.94 -60.95 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.522 ' CG1' ' N ' ' A' ' 143' ' ' SER . 4.4 pt -80.34 -45.53 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.522 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 34.0 t -59.6 -36.37 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -72.12 149.48 44.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 94.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.0 t 38.46 43.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.5 t -121.35 95.28 4.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -164.33 160.54 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -147.56 175.89 10.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.91 -142.23 13.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t 64.06 44.1 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p -77.48 170.41 16.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.91 159.13 29.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mmt -144.14 113.96 7.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -124.5 155.05 39.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -130.95 111.22 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.3 p -124.25 165.62 17.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.01 146.22 18.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -177.23 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.71 78.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.3 t -110.89 142.17 25.67 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 110.93 2.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -175.02 150.94 1.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 149.47 66.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -104.28 143.92 27.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.86 62.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.294 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.84 177.37 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -113.61 140.63 24.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 139.75 40.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.56 -70.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 39.45 49.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -112.25 84.55 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.2 t -110.5 136.08 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.2 p -42.98 -33.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -81.79 -41.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -83.25 -64.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.2 pp -42.99 -28.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -38.8 -45.98 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -55.5 -41.17 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tp10 -47.48 -38.64 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.15 -63.5 3.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -54.87 -53.07 60.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.96 -39.93 9.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -74.13 -33.61 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -68.37 -50.85 50.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -60.89 -9.25 3.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 t -104.43 -22.78 13.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.43 -29.05 7.83 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.35 92.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -79.51 -47.26 15.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.36 -34.74 9.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -87.79 -53.83 2.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -38.07 -48.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.58 -49.75 74.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.04 -40.87 15.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.08 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -55.92 -37.78 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.5 m -53.75 -54.49 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -57.02 -58.82 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -40.14 -43.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD12 ' HD2' ' A' ' 71' ' ' ARG . 28.2 mt -73.48 -39.55 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.93 -44.36 55.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.1 mt -67.13 160.17 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.07 82.23 8.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -101.95 169.85 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -55.69 158.75 5.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.24 35.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.532 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.8 tt0 -87.55 -35.24 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -68.67 -45.35 71.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 19.5 mt-30 -51.29 -55.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.37 -45.91 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 62' ' ' GLN . 79.6 t -59.29 -37.14 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.84 -32.6 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -64.07 -50.38 68.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 7.4 ptm180 -59.85 -20.88 59.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -84.16 -55.95 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HD2' HD12 ' A' ' 55' ' ' LEU . 62.4 mtp180 -37.05 -53.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . -41.24 -59.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . . . -36.7 -50.31 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.31 -50.36 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 10.4 m-70 -56.56 -52.19 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.3 mt -48.51 -49.71 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -64.68 -37.08 86.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.3 mt -86.32 39.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 37.64 43.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -120.85 43.14 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -55.03 -31.24 60.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' HA ' HD21 ' A' ' 112' ' ' LEU . 5.0 m-20 -52.42 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -69.05 -35.87 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . . . -45.53 -60.02 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.72 -46.7 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 59.8 m -50.6 -54.67 20.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -53.77 -52.71 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.35 7.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.3 t -52.83 -43.91 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -55.86 -40.84 73.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.65 79.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' GLY . 80.2 mt -68.84 -58.78 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -53.27 -46.81 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -41.47 -57.02 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -104.86 -68.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 129.49 -48.45 0.97 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -96.14 47.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -108.46 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.015 HG13 HD22 ' A' ' 128' ' ' LEU . 11.6 m -73.9 -15.16 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 43.2 mmtt -62.23 -56.48 18.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 69' ' ' ARG . . . -65.88 -30.05 70.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 99' ' ' VAL . 11.0 mt -59.12 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -42.8 -34.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -77.76 -52.06 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -38.84 -59.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.2 p -41.07 -48.28 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 111' ' ' LYS . 93.6 mm-40 -42.3 -45.39 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -71.28 -59.01 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.46 HD22 ' HD3' ' A' ' 114' ' ' ARG . 87.4 mt -37.72 -54.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.8 -39.1 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -75.09 -24.88 58.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 82' ' ' ASP . 83.3 mt -88.29 5.87 39.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.93 19.16 65.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.46 ' HD3' HD22 ' A' ' 109' ' ' LEU . 95.9 mtt180 -105.56 82.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.0 -51.2 57.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.75 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.6 mp0 -67.45 -49.15 64.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.47 -39.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.68 -50.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.0 mt -55.17 -50.18 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.422 ' OD2' HD23 ' A' ' 102' ' ' LEU . 8.3 t70 -52.39 -53.09 49.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 123' ' ' GLN . 39.5 mt -60.97 -52.2 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 122' ' ' LEU . 55.1 mt-30 -35.02 -38.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -63.21 -51.77 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 122' ' ' LEU . 34.6 m -46.29 -27.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.78 -39.88 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.7 t -63.85 -62.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.015 HD22 HG13 ' A' ' 99' ' ' VAL . 2.5 mp -52.73 -46.01 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -120.95 91.64 47.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -32.85 17.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -37.48 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.8 m-80 -52.36 107.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -82.17 -30.62 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 41.3 t -49.57 -27.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.7 m-85 -82.34 -41.98 19.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -67.36 -37.92 83.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -41.26 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.461 ' HA ' ' ND2' ' A' ' 141' ' ' ASN . . . -64.25 -68.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 138' ' ' ALA . 4.3 tp -33.0 -66.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' LEU . 16.6 mmm180 -35.76 -42.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 138' ' ' ALA . 20.5 m-20 -47.39 -65.76 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.509 ' CG1' ' N ' ' A' ' 143' ' ' SER . 7.2 pt -76.42 -48.06 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.509 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 33.2 t -45.3 -47.04 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 103.19 176.34 26.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.8 21.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.315 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 60.1 p -40.93 106.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.6 p -153.76 119.61 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -131.08 118.09 20.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -90.37 92.07 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.01 -171.88 18.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -66.97 166.04 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.804 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -157.02 160.77 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.85 107.63 0.19 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.5 ttm -80.86 -54.6 5.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 p -152.74 171.32 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.203 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -93.81 145.92 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.9 m -113.48 163.83 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.48 173.58 27.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -36.3 11.13 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.38 68.32 1.38 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.2 m -129.82 80.17 71.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 111.13 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -178.57 2.43 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -61.32 151.69 75.61 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -108.6 154.44 41.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -179.48 2.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 160.17 20.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.6 t -173.45 141.71 0.93 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.712 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 107.07 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.266 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.24 162.12 40.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.96 49.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -89.42 -52.44 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 m -43.32 120.98 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -49.51 -44.05 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.0 -25.44 58.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -91.08 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -45.63 -26.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -39.52 -39.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -67.75 -38.88 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.6 tp10 -47.25 -48.4 24.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -58.17 10.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -48.52 -62.46 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -40.01 -38.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 47' ' ' ALA . 74.9 mt -73.48 -38.1 65.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ASN . 20.9 t80 -68.53 -52.93 26.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -67.42 -3.47 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.0 t -109.54 -10.85 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.36 -31.53 8.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.49 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CZ ' ' HE3' ' A' ' 77' ' ' LYS . 29.7 m-85 -86.52 -48.64 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.78 -35.41 7.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.428 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -86.61 -55.29 2.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.478 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.434 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -37.37 -50.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.786 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.3 tm? -56.03 -51.99 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.13 -51.91 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.34 -48.05 74.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -55.95 -43.02 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -53.88 -43.63 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -54.98 -51.52 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.58 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -48.53 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 HH11 ' A' ' 71' ' ' ARG . 43.5 mt -50.29 -40.14 47.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.29 -42.13 72.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 59' ' ' ALA . 59.2 mt -77.37 138.64 39.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.45 80.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.63 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -93.46 177.61 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 p -68.57 157.11 89.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.08 36.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.76 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.22 -40.01 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.603 ' HA ' HD12 ' A' ' 67' ' ' LEU . 65.7 mt-30 -56.45 -53.27 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.45 -47.88 13.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG13 ' NH2' ' A' ' 69' ' ' ARG . 23.7 t -61.92 -34.46 63.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 64' ' ' GLN . 11.9 mt -74.0 -33.83 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.722 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 25.9 m-70 -61.47 -37.43 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.446 ' NH2' HG13 ' A' ' 66' ' ' VAL . 16.1 ptt180 -81.35 -23.93 37.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -78.08 -49.48 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.599 ' HD2' HD22 ' A' ' 48' ' ' LEU . 30.7 mmm-85 -49.4 -56.64 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.581 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -44.3 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.0 m -39.54 -51.37 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 9.5 m-70 -54.11 -53.02 58.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 73' ' ' ALA . 29.2 mt -48.51 -45.5 37.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 23.1 mmmt -68.13 -36.53 79.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.7 mt -90.64 39.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 38.77 49.72 1.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 57.6 m-20 -123.13 27.04 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.548 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 m-85 -41.88 -47.08 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 112' ' ' LEU . 30.8 t70 -36.93 -58.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -69.01 -45.09 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.91 -56.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE2' ' CG ' ' A' ' 105' ' ' ARG . 38.6 tp10 -41.67 -64.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.2 m -45.79 -58.3 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.0 mm-40 -49.91 -61.07 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -33.91 -58.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.442 ' HA ' HD12 ' A' ' 92' ' ' ILE . 35.0 t -49.55 -48.66 48.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -50.14 -43.74 52.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.722 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -68.49 -16.94 64.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 89' ' ' SER . 84.7 mt -89.41 -65.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -41.81 -47.75 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 19.2 mmtt -36.9 -51.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.15 -64.08 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.44 -50.51 0.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.86 47.44 2.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -113.48 90.96 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 102' ' ' LEU . 8.5 m -67.56 -39.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' N ' HG23 ' A' ' 99' ' ' VAL . 8.4 mmtp -41.25 -42.39 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.42 60.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 99' ' ' VAL . 12.8 mt -56.55 -54.0 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.81 -43.23 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.2 mmt-85 -61.48 -30.06 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.4 ' CG ' ' OE2' ' A' ' 85' ' ' GLU . 44.4 ttp180 -71.59 -49.13 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 p -51.25 -30.66 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -65.6 -31.41 72.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.12 -41.66 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.538 ' CD2' ' CZ ' ' A' ' 114' ' ' ARG . 47.8 mt -56.98 -41.3 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -58.14 -43.06 87.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.548 ' HE3' ' CE1' ' A' ' 81' ' ' TYR . 19.5 mmtt -75.8 -17.33 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 82' ' ' ASP . 65.1 mt -91.85 6.55 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.72 18.1 77.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.538 ' CZ ' ' CD2' ' A' ' 109' ' ' LEU . 65.8 mtp180 -107.34 53.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' ASP . 50.9 mt -55.29 -58.76 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 115' ' ' LEU . 31.6 m-20 -34.7 -44.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.719 ' HA ' HD12 ' A' ' 120' ' ' LEU . 14.3 mm-40 -73.17 -48.12 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.47 -40.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.499 HG13 HD21 ' A' ' 139' ' ' LEU . 19.1 t -67.77 -44.13 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 117' ' ' GLN . 12.1 mt -62.08 -40.95 97.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -28.58 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.616 ' CB ' HD12 ' A' ' 139' ' ' LEU . 84.7 mt -82.23 -36.37 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -55.45 -13.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -90.19 -56.03 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.5 p -50.87 -27.27 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.46 -28.26 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 t -79.46 -53.87 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.498 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 8.0 mt -58.2 -29.21 65.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.409 ' HG2' HG21 ' A' ' 99' ' ' VAL . 15.9 mm-40 -128.52 85.83 59.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -0.03 6.36 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.664 2.242 . . . . 0.0 112.38 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 133' ' ' LYS . 6.4 ptpp? -107.86 -40.09 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.415 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 4.4 m120 -54.45 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 131' ' ' LYS . 34.4 mtmm -66.09 -37.0 84.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.4 t -40.77 -35.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.415 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 14.3 m-30 -68.49 -57.98 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.95 -40.97 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.1 -43.67 86.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.31 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.616 HD12 ' CB ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -63.63 -32.88 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -74.51 -10.05 59.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -98.7 -24.45 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.8 pt -100.42 -21.75 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 9.1 t -92.66 -28.83 16.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -61.28 146.78 47.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 118.81 5.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.2 t -68.07 -49.15 63.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.4 p -80.94 145.19 31.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -65.12 -63.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m 56.76 44.1 24.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.57 -179.55 52.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -126.12 -179.69 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 m -134.0 -66.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.5 134.44 5.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtt -120.08 -179.52 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.1 m -115.76 129.48 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.95 -35.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 p -38.76 142.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.4 -179.01 23.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.65 -128.55 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.655 HG23 ' HD2' ' A' ' 16' ' ' PRO . 74.5 m -151.04 139.09 12.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.578 0.704 . . . . 0.0 111.167 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.655 ' HD2' HG23 ' A' ' 15' ' ' THR . 54.3 Cg_endo -69.69 172.98 11.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 16' ' ' PRO . 13.3 mp0 -158.99 158.11 28.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.64 0.733 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -177.48 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.628 2.218 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -140.36 147.96 51.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.7 6.41 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.33 51.81 11.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 t -129.87 141.3 41.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -50.22 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.297 . . . . 0.0 112.315 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.14 -148.08 17.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.02 98.96 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 111.09 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.487 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.9 m -128.34 -37.74 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.7 m -62.62 127.71 32.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.981 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.1 p -57.94 -35.91 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.09 -39.73 63.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 32' ' ' ARG . 48.7 tt0 -86.74 -66.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.58 -32.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.84 HH21 HG22 ' A' ' 28' ' ' VAL . 6.2 ttm180 -35.01 -56.4 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -46.14 -42.37 13.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 7.6 tp10 -44.71 -47.45 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.03 -50.03 14.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -48.45 -56.85 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.35 -44.41 16.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 46' ' ' GLY . 12.9 mt -63.77 -29.59 70.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -75.35 -54.68 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -58.88 -10.71 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 t -103.77 -23.71 13.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.49 -29.74 6.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.07 96.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -81.67 -51.88 7.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.1 -36.05 9.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.486 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -82.68 -56.41 2.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.9 -44.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.345 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.494 HD21 ' NH1' ' A' ' 71' ' ' ARG . 2.1 tm? -61.03 -47.91 84.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.16 -54.99 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.99 -50.36 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -54.24 -41.46 68.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.7 m -53.7 -54.2 41.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ALA . 7.4 mt-30 -50.0 -63.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.981 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -37.55 -51.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.92 -42.76 98.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -44.53 23.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD11 ' O ' ' A' ' 26' ' ' SER . 59.2 mt -71.35 155.83 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.2 83.29 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.715 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -101.25 160.16 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -43.35 154.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.28 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -87.68 -33.07 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.69 -45.63 78.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 67' ' ' LEU . 12.6 mt-30 -46.23 -62.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' GLN . . . -37.1 -46.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.9 t -57.22 -40.7 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 64' ' ' GLN . 9.6 mt -71.79 -40.55 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -56.82 -58.31 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -51.08 -35.31 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' ARG . 57.9 m-20 -63.6 -57.94 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' NH1' HD21 ' A' ' 48' ' ' LEU . 66.9 mtp85 -37.1 -53.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.6 -53.45 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -45.77 -48.08 15.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -54.76 -52.91 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.44 ' CD2' ' OE2' ' A' ' 87' ' ' GLU . 56.5 m-70 -59.81 -53.86 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.784 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.7 mt -43.39 -47.11 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -69.26 -33.38 73.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.5 mt -87.04 42.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 19.1 mt-10 37.01 36.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -121.35 45.72 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 111' ' ' LYS . 35.1 m-85 -53.52 -43.48 68.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 112' ' ' LEU . 4.8 m-20 -37.09 -66.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' ALA . 13.5 mtpp -61.03 -51.0 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.25 -53.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' OE2' HD23 ' A' ' 109' ' ' LEU . 4.2 tt0 -44.34 -60.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.414 HG22 ' HE2' ' A' ' 90' ' ' LYS . 94.9 m -52.0 -49.08 64.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.44 ' OE2' ' CD2' ' A' ' 75' ' ' HIS . 1.5 mp0 -50.61 -50.74 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.32 -50.84 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.6 p -50.56 -45.73 57.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HE2' HG22 ' A' ' 86' ' ' THR . 26.0 mttm -50.72 -43.19 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.76 -31.69 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.52 -51.33 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.79 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -44.16 -61.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -108.31 -60.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.74 -43.38 1.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.48 ' CA ' HD21 ' A' ' 128' ' ' LEU . . . -101.4 59.98 0.61 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.33 91.83 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.514 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 1.5 m -59.94 -39.95 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 27.3 mmtp -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.61 -46.09 20.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.36 -45.66 62.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -57.89 -33.86 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -74.88 -49.53 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -47.08 -57.61 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.6 p -44.7 -49.1 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -44.62 -49.79 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.96 -53.76 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.459 HD23 ' OE2' ' A' ' 85' ' ' GLU . 56.3 mt -43.58 -55.26 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -50.94 -44.41 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.523 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 7.6 mptt -63.68 -46.76 84.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 82' ' ' ASP . 29.5 mt -62.65 -28.94 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 126.38 -22.14 5.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.57 89.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.0 mt -79.13 -65.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -40.28 -35.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -65.49 -49.14 70.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.02 -38.17 64.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.458 HG22 HG13 ' A' ' 142' ' ' ILE . 44.8 t -65.11 -53.43 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.32 -41.25 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.6 -48.66 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.57 -50.04 74.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -39.31 -40.61 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 127' ' ' SER . 71.3 mtt180 -60.51 -48.41 81.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 62.1 m -41.67 -41.29 2.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.3 t -68.37 -36.75 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.6 t -58.34 -58.07 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.514 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 2.0 mp -61.17 -34.71 75.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.964 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.436 ' HG3' HG11 ' A' ' 99' ' ' VAL . 12.6 mt-10 -124.55 89.43 52.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 52.9 Cg_endo -69.83 3.06 3.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.3 OUTLIER -114.95 -44.44 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.574 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 2.0 t-20 -36.19 115.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -87.87 -27.43 22.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -55.86 -33.19 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 9.9 m-30 -75.1 -44.31 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -61.03 -43.75 98.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 5.5 pt-20 -66.91 -37.89 85.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.65 84.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 141' ' ' ASN . 3.7 tp -67.89 -63.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -39.53 -26.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 139' ' ' LEU . 62.6 m-20 -68.03 -62.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.483 ' CG1' ' N ' ' A' ' 143' ' ' SER . 6.5 pt -75.77 -46.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.483 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 26.1 t -49.54 -43.05 45.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.34 176.8 15.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 157.74 59.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.5 t -135.3 129.58 33.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.1 m 47.28 41.33 11.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.534 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -104.3 -50.21 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t 69.43 44.41 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.05 174.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -122.79 -67.45 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -169.81 -176.87 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.66 -156.8 19.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.5 mtt -151.64 127.16 10.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -112.02 129.06 56.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.44 126.54 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.8 m -133.19 170.37 15.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.75 81.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -167.01 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.278 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.16 172.47 45.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 t -168.4 144.47 3.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 111.133 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -175.12 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -134.66 145.99 57.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.604 0.716 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 166.93 26.0 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -95.72 135.84 22.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 176.24 7.04 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.95 106.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 t -171.63 140.65 1.21 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.586 0.708 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.46 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.57 81.6 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.22 116.91 32.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 27' ' ' SER . 15.7 m -59.71 -11.78 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' SER . 57.5 m -34.97 140.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -48.97 -43.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.132 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.33 -30.38 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.5 tt0 -90.6 -69.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -39.57 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -44.46 -44.46 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -57.41 -42.96 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -46.41 -43.1 16.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.84 -60.92 5.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' PHE . 66.1 m-80 -52.91 -57.86 8.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -40.38 -44.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.1 mt -69.96 -31.74 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' ASN . 17.4 t80 -70.39 -50.95 33.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HE3' ' C ' ' A' ' 36' ' ' ASN . 13.4 ptpt -61.19 -8.93 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.96 -20.42 13.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.0 -36.13 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -51.66 93.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -80.06 -45.44 18.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.16 -31.21 11.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.34 -54.55 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.84 -41.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.98 -43.01 79.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.97 -46.02 71.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.97 72.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -54.76 -35.94 64.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.6 m -57.08 -56.6 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.79 -48.73 72.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -43.86 -51.86 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.1 -41.1 95.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.39 -41.0 47.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.6 mt -77.52 143.64 38.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 6.0 p-10 -67.69 88.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.967 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -106.29 171.52 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.61 158.68 4.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.113 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.99 33.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -88.35 -26.11 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.506 ' O ' HD12 ' A' ' 67' ' ' LEU . 11.3 m-20 -84.05 -31.64 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 15.6 mt-30 -60.74 -32.47 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . . . -76.8 -67.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ALA . 12.1 p -37.15 -29.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 63' ' ' ASP . 12.9 mt -82.41 -47.27 12.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 22.2 m-70 -53.1 -49.02 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 69' ' ' ARG . 6.5 ppt_? -65.82 -23.23 66.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -79.5 -49.64 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -41.31 -50.58 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.41 -47.97 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.58 -66.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.51 -48.57 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -59.47 -53.37 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.3 mt -44.92 -49.09 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -64.43 -31.62 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.6 mt -94.61 43.84 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' LEU . 24.6 mt-10 36.8 43.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -119.53 42.55 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.9 m-85 -56.27 -39.12 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -56.76 5.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -72.29 -31.7 65.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -57.37 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 10.3 tm-20 -39.75 -53.27 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.5 m -54.13 -67.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -36.77 -40.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . -56.91 -50.65 71.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -64.03 -34.16 77.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -79.52 -44.48 21.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.428 HG13 ' HB3' ' A' ' 101' ' ' ALA . 33.7 mt -59.58 -45.77 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.49 -37.05 86.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -59.18 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -81.09 -56.82 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 87.2 24.15 38.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.12 25.2 0.12 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -111.1 132.56 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.913 ' HA ' HD12 ' A' ' 102' ' ' LEU . 11.1 m -91.12 -27.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -42.94 -48.06 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB3' HG13 ' A' ' 92' ' ' ILE . . . -68.27 -49.78 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 99' ' ' VAL . 13.8 mt -44.41 -56.01 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -56.6 -39.72 74.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -63.42 -45.76 89.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -51.77 -54.43 28.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 p -47.75 -48.65 29.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -51.12 -32.22 21.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.43 -42.62 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.3 mt -53.92 -47.54 71.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.52 -57.69 11.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -53.5 -43.2 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.957 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.39 -23.59 66.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.81 -5.98 18.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -89.19 82.76 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.6 mt -75.98 -53.17 8.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.25 -45.17 23.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.743 ' HA ' HD12 ' A' ' 120' ' ' LEU . 14.5 mm-40 -63.46 -53.2 55.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLN . . . -35.55 -46.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.517 HG13 HD11 ' A' ' 139' ' ' LEU . 39.2 t -62.77 -42.7 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 117' ' ' GLN . 24.0 mt -59.89 -64.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.48 -34.33 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 124' ' ' ARG . 32.1 mt -73.14 -43.87 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -43.67 -23.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 122' ' ' LEU . 68.0 mtt-85 -84.2 -56.62 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 29.7 p -51.17 -21.3 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.2 t -84.15 -30.59 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.4 t -77.01 -40.5 46.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.492 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -68.48 -27.79 66.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 64.2 mm-40 -133.31 96.62 17.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.9 Cg_endo -69.77 -33.16 17.11 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -76.04 -42.62 47.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.52 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 2.1 m-80 -51.39 102.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 136' ' ' GLN . 32.9 mttp -79.12 -38.56 35.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 73.8 t -42.61 -27.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 21.9 m-85 -83.68 -35.72 24.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' LYS . 30.7 mt-30 -75.22 -33.27 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.492 ' OE2' ' HB2' ' A' ' 138' ' ' ALA . 0.3 OUTLIER -71.56 -34.67 70.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.492 ' HB2' ' OE2' ' A' ' 137' ' ' GLU . . . -73.7 -26.58 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.517 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -70.17 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -70.28 -24.51 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 137' ' ' GLU . 44.2 m-20 -65.36 -38.66 90.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.3 pt -96.85 -30.32 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 20.4 t -58.44 -40.43 82.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -108.98 -179.06 21.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 88.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.635 2.224 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 35.6 t -53.67 -53.96 44.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 98.1 p 41.81 42.75 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.522 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -136.48 177.03 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 p -168.68 168.97 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.59 -158.29 10.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -165.22 177.21 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -144.81 176.03 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.96 -161.7 9.96 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 mtt -152.78 165.88 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 10' ' ' VAL . 36.7 m -145.87 158.34 43.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.48 ' N ' HG22 ' A' ' 9' ' ' THR . 71.4 t -134.8 132.67 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.7 p -128.23 176.57 7.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.94 145.7 11.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -168.69 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.6 -145.74 4.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 15' ' ' THR . 8.9 t -155.39 121.34 2.62 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.581 0.705 . . . . 0.0 111.143 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 179.05 3.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -137.29 144.08 44.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 165.52 30.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 2.275 . . . . 0.0 112.325 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -107.13 149.92 39.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.62 0.724 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.29 5.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.06 152.04 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -173.33 141.58 0.93 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.71 . . . . 0.0 111.119 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 95.06 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.314 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.83 -89.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.64 40.32 16.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -129.17 -41.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLN . 49.2 m -69.03 120.59 15.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.009 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.4 p -42.46 -37.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 17.4 tt0 -71.12 -38.35 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.9 tp60 -81.18 -68.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -40.74 -29.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' NH1' ' O ' ' A' ' 29' ' ' GLU . 3.1 ttp-105 -38.32 -50.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -50.89 -42.32 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.6 tp10 -46.76 -48.81 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.95 -60.8 8.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 39' ' ' PHE . 64.5 m-80 -53.76 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' ASN . 17.7 mt-10 -37.77 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD13 ' C ' ' A' ' 46' ' ' GLY . 40.3 mt -84.02 -38.43 20.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' ASN . 33.0 t80 -65.92 -53.18 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -58.23 -11.89 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 t -105.48 -21.44 13.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' TYR . . . 117.36 -38.31 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.88 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' GLY . 29.3 m-85 -82.42 -46.5 13.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.19 -36.47 15.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.453 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -88.26 -51.69 3.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.31 -50.31 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.679 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.1 tm? -57.39 -52.52 65.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.21 -54.19 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.51 -51.24 49.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -54.42 -41.39 69.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -56.67 -43.25 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -61.65 -58.51 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.009 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -44.63 -51.42 9.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.6 mt -61.03 -29.13 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.1 33.79 3.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' ALA . 58.4 mt -145.32 144.51 30.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.96 82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -108.93 164.45 12.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.47 158.54 20.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -86.93 -21.1 26.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 67' ' ' LEU . 1.2 m-20 -92.22 -32.36 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 43.0 mt-30 -61.23 -29.18 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -79.59 -66.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 10.0 p -36.94 -32.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 63' ' ' ASP . 11.0 mt -71.68 -45.44 61.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' ALA . 20.9 m-70 -56.04 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 66' ' ' VAL . 21.7 ptt85 -51.38 -23.75 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 59.1 m-20 -81.11 -51.16 8.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.636 ' HE ' HD21 ' A' ' 48' ' ' LEU . 64.5 mtp180 -45.47 -52.11 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.82 -47.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -48.45 -62.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.9 m -46.5 -54.69 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.596 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 46.7 m-70 -51.22 -58.46 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.791 HD21 ' HB2' ' A' ' 108' ' ' ALA . 14.3 mt -45.79 -42.63 12.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -69.35 -44.66 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 9.6 mt -79.91 44.22 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.4 tt0 36.47 36.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -117.0 45.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.464 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 23.6 m-85 -60.66 -34.98 75.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.63 -63.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -72.37 -41.64 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . . . -41.86 -52.07 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' OE1' ' CD1' ' A' ' 112' ' ' LEU . 4.9 tt0 -48.05 -60.12 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.8 m -45.31 -52.62 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -43.73 -65.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' SER . . . -41.58 -61.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.431 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . 1.6 t -37.01 -51.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -56.36 -51.81 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.59 -54.7 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.88 -24.62 20.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.49 -33.04 19.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 20.9 mmtt -52.51 -45.53 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -112.6 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.74 -39.61 1.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.42 42.64 1.87 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.45 92.6 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.932 HG13 HD22 ' A' ' 128' ' ' LEU . 3.7 m -76.73 -15.21 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -63.45 -47.4 82.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.63 -30.69 66.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.894 HD12 ' HA ' ' A' ' 99' ' ' VAL . 37.2 mt -59.44 -51.23 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -57.63 -40.25 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -75.35 -31.21 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 85' ' ' GLU . 10.3 ttm-85 -58.47 -49.0 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -53.08 -46.37 68.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -48.16 -47.65 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.791 ' HB2' HD21 ' A' ' 76' ' ' LEU . . . -67.93 -53.6 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.669 HD23 ' HD3' ' A' ' 114' ' ' ARG . 12.0 mt -46.8 -46.17 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -50.95 -55.21 18.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 5.9 tptm -51.12 -27.15 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.445 ' CD1' ' OE1' ' A' ' 85' ' ' GLU . 31.4 mt -94.31 28.66 2.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 52.88 15.2 3.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.669 ' HD3' HD23 ' A' ' 109' ' ' LEU . 27.0 mtp85 -91.53 48.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.5 mt -60.56 -34.34 74.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -32.01 71.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.484 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.2 mp0 -83.67 -44.63 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.526 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -41.08 -42.5 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.494 HG13 HD11 ' A' ' 139' ' ' LEU . 77.6 t -66.62 -43.3 90.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 117' ' ' GLN . 13.9 mt -64.47 -36.36 83.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.02 -20.94 51.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 124' ' ' ARG . 21.9 mt -84.28 -52.72 6.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -38.64 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 122' ' ' LEU . 81.3 mtt180 -73.18 -56.3 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.9 p -53.78 -20.26 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.7 t -81.24 -38.52 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.9 t -61.61 -60.34 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.932 HD22 HG13 ' A' ' 99' ' ' VAL . 2.1 mp -48.87 -46.12 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.43 ' HB3' ' CG ' ' A' ' 132' ' ' ASN . 5.6 mm-40 -111.57 94.51 23.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.86 32.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 133' ' ' LYS . 40.8 mmtm -90.55 -46.57 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.43 ' CG ' ' HB3' ' A' ' 129' ' ' GLU . 4.8 m-20 -39.73 96.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -75.58 -21.42 57.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.0 t -55.6 -29.73 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -81.62 -55.25 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -50.35 -35.33 27.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -31.43 56.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.67 -27.14 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.494 HD11 HG13 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -71.67 -49.67 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -69.58 -17.05 63.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.17 -37.49 61.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 118' ' ' ALA . 10.7 pt -96.44 -19.95 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.9 t -75.85 -32.56 59.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.63 154.67 16.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.69 112.95 3.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 99.8 p -122.94 157.12 33.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 43.5 t -88.84 103.91 16.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -76.61 159.28 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.7 p -155.4 173.97 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.83 -70.25 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 38.54 42.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -91.47 144.02 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.53 145.64 12.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 tpt -92.09 150.97 20.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -127.73 109.69 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 10' ' ' VAL . 35.1 m -90.95 123.53 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 t -52.01 144.91 11.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.56 89.6 0.56 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 133.22 25.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.92 58.5 0.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.8 p -139.17 149.03 59.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 161.49 45.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -83.34 144.45 46.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.648 0.737 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 153.64 68.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -41.6 154.68 0.24 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.734 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 129.4 17.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.94 -177.58 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -161.66 141.45 7.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 170.64 16.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.3 -49.08 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.97 27.03 5.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -86.12 46.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLN . 60.0 m -96.45 121.2 38.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.054 HG23 ' HB1' ' A' ' 54' ' ' ALA . 7.2 p -38.58 -33.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.57 -41.79 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -88.67 -63.38 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.635 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -39.86 -35.65 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' LEU . 23.1 ttt85 -34.5 -48.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -47.88 64.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.5 tp10 -40.67 -39.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.88 -61.34 5.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' PHE . 11.5 m-20 -55.97 -56.35 21.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -39.2 -44.11 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.9 mt -70.64 -34.32 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 36' ' ' ASN . 23.9 t80 -67.43 -53.31 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -58.11 -11.59 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.1 t -104.73 -26.55 12.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.27 -38.15 2.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.86 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.773 0.32 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.28 -52.97 6.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -34.01 5.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -84.85 -55.84 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.1 -49.23 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.594 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.1 tm? -57.19 -57.72 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.15 -52.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.94 -51.06 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -54.14 -42.98 70.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.7 m -50.13 -55.14 16.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.97 -59.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.054 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -46.78 -50.28 18.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.653 HD12 ' HD2' ' A' ' 71' ' ' ARG . 14.8 mt -62.67 -40.47 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.73 -45.62 68.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.499 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.0 163.53 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.53 41.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.742 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -53.08 167.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -53.75 157.21 4.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.67 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.16 32.23 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.65 2.234 . . . . 0.0 112.311 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -92.57 -32.69 14.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -80.98 -25.6 37.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.537 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 32.7 mt-30 -64.76 -31.5 72.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -75.8 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 67' ' ' LEU . 7.3 p -42.39 -44.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' N ' HG13 ' A' ' 66' ' ' VAL . 18.8 mt -63.29 -39.45 94.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 33.1 m-70 -61.02 -61.36 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -54.25 -30.64 51.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -69.96 -47.35 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.653 ' HD2' HD12 ' A' ' 55' ' ' LEU . 33.1 mtp180 -48.97 -49.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -34.74 -44.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.7 -57.1 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.3 m -42.76 -48.63 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.47 ' CE1' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-70 -66.65 -51.9 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 81' ' ' TYR . 39.0 mt -46.7 -41.67 15.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -73.99 -39.36 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 79' ' ' GLU . 11.3 mt -84.53 44.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.9 tt0 35.72 46.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.412 ' OD2' ' ND1' ' A' ' 75' ' ' HIS . 35.6 t0 -127.91 37.73 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HG3' ' A' ' 111' ' ' LYS . 31.2 m-85 -44.81 -47.79 10.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -34.97 -63.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 14.0 mtpp -57.57 -44.7 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 81' ' ' TYR . . . -46.3 -57.83 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -38.65 -50.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.402 HG22 ' HE2' ' A' ' 90' ' ' LYS . 20.4 m -60.64 -64.19 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -43.29 -25.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 105' ' ' ARG . . . -82.9 -46.5 12.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.0 t -65.25 -21.17 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HE2' HG22 ' A' ' 86' ' ' THR . 0.5 OUTLIER -89.2 -40.63 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.18 -57.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -52.9 -34.85 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 13.6 mmtp -56.65 -40.19 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -103.26 -64.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.78 -54.9 0.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -118.07 55.45 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.98 91.49 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.723 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.6 m -59.0 -41.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 99' ' ' VAL . 19.5 mttp -34.61 -48.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.01 75.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 99' ' ' VAL . 13.5 mt -50.13 -55.47 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -50.25 -44.5 53.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -64.47 -48.91 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 61.6 ttt180 -51.63 -52.11 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.532 ' HA ' HD12 ' A' ' 109' ' ' LEU . 55.0 p -47.19 -48.52 23.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.4 -39.86 11.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.78 -44.19 61.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 106' ' ' SER . 72.7 mt -53.97 -57.79 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -45.03 -38.76 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 81' ' ' TYR . 11.0 mmtm -71.96 -49.63 35.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.3 -27.5 65.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.36 38.15 2.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -119.44 42.06 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.6 mt -42.46 -45.1 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -52.12 -41.66 62.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 120' ' ' LEU . 13.1 mm-40 -77.63 -42.64 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.23 -36.26 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.682 HG13 HD11 ' A' ' 139' ' ' LEU . 44.2 t -72.29 -38.95 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 117' ' ' GLN . 16.8 mt -67.41 -41.47 84.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.53 -41.42 79.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 142' ' ' ILE . 37.3 mt -71.92 -46.33 58.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -42.46 -39.79 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' SER . 33.7 mtt180 -65.44 -51.02 63.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 89.0 m -39.99 -40.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.66 -39.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 124' ' ' ARG . 23.3 t -62.5 -56.63 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.491 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 12.5 mt -63.22 -38.31 90.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -121.33 92.23 48.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.03 24.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 18.7 pttm -78.98 -45.07 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.581 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 5.5 m120 -47.6 104.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.442 ' HD2' ' NE2' ' A' ' 136' ' ' GLN . 8.1 tptm -83.16 -35.72 25.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 135' ' ' PHE . 16.6 m -46.39 -23.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 19.4 m-85 -83.42 -40.78 18.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.442 ' NE2' ' HD2' ' A' ' 133' ' ' LYS . 43.6 mt-30 -68.8 -32.8 72.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.65 -35.32 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.89 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.682 HD11 HG13 ' A' ' 119' ' ' VAL . 23.9 tp -68.22 -66.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 139' ' ' LEU . 13.3 ptt180 -34.88 -36.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 139' ' ' LEU . 69.4 m-20 -57.0 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.584 HG13 HG22 ' A' ' 119' ' ' VAL . 8.2 pt -84.92 -49.23 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.493 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 13.2 t -60.48 -50.02 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 103.42 -158.47 17.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 114.74 3.81 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 14.6 t -117.27 123.74 47.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.1 p -131.6 -43.27 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 p -158.31 125.18 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -171.29 149.78 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.45 110.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -141.94 147.36 36.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -171.12 132.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.59 90.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.2 mmm -150.81 168.18 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -165.38 145.55 6.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.0 t -128.72 127.55 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.9 m -139.67 166.66 24.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.77 83.1 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 172.87 11.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.08 149.47 15.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 83.0 m -160.84 131.8 3.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 111.139 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.32 3.78 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -134.67 143.94 48.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.97 20.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -149.5 144.29 17.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 140.01 41.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.722 2.281 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' THR . . . -146.16 175.05 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' ALA . 9.9 t -36.82 141.89 0.37 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.71 23.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.633 2.222 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.6 43.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.501 ' HB3' ' OE1' ' A' ' 30' ' ' GLN . . . -116.55 111.13 19.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -82.18 45.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.0 m -88.84 129.83 35.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.976 HG23 ' HB1' ' A' ' 54' ' ' ALA . 7.3 p -38.3 -37.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 1.9 pp20? -70.78 -46.63 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.501 ' OE1' ' HB3' ' A' ' 25' ' ' ALA . 5.6 tt0 -83.05 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -36.43 -34.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.697 HH21 HG22 ' A' ' 28' ' ' VAL . 5.9 ttm180 -34.13 -53.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 1.2 mppt? -48.88 -44.6 40.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.663 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 10.2 tt0 -42.12 -42.05 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.42 -60.46 4.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -52.94 -56.23 17.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 40' ' ' LYS . 32.5 mt-10 -41.06 -48.92 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.5 mt -68.88 -39.12 79.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.41 -56.62 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 37' ' ' GLU . 12.7 pttm -64.69 -5.69 6.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.3 t -104.62 -11.74 16.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.05 -17.37 56.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.8 87.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -79.39 -48.09 14.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.39 6.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.03 -38.93 5.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.473 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.2 -38.51 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD21 ' HE ' ' A' ' 71' ' ' ARG . 2.5 tm? -66.76 -40.05 88.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.31 76.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.663 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -57.96 -48.65 79.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB3' ' CD ' ' A' ' 71' ' ' ARG . 17.3 m-85 -54.78 -40.86 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -56.27 -50.94 69.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.8 mt-30 -53.33 -59.5 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.976 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -37.14 -54.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.16 -37.44 87.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -55.5 -36.55 64.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 28' ' ' VAL . 61.1 mt -78.97 146.92 33.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.09 79.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -94.94 160.71 14.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p -45.75 157.95 0.36 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.85 31.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -94.16 -27.61 16.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 66' ' ' VAL . 26.6 m-20 -79.7 -36.3 37.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.461 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 19.8 mt-30 -54.58 -31.18 56.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -75.71 -70.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 63' ' ' ASP . 11.6 p -36.9 -29.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' ALA . 54.1 mt -77.13 -45.18 27.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.655 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 43.0 m-70 -53.2 -57.54 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -52.55 -27.89 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -78.63 -49.44 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' HE ' HD21 ' A' ' 48' ' ' LEU . 32.2 mmm-85 -49.03 -47.11 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -48.01 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.07 -67.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 86.0 m -42.32 -52.38 4.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.522 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 6.3 m-70 -53.67 -65.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 81' ' ' TYR . 10.5 mt -40.63 -33.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.11 -39.47 25.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' HIS . 9.6 mt -89.31 46.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' LEU . 9.6 mp0 37.18 54.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -132.48 33.54 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.591 ' HD2' HD23 ' A' ' 76' ' ' LEU . 15.1 m-85 -47.2 -46.93 24.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' TYR . 5.2 m-20 -37.12 -62.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.522 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 20.4 mtpp -63.78 -49.23 73.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.457 ' CB ' ' HG ' ' A' ' 76' ' ' LEU . . . -42.14 -52.51 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' OE2' ' NH1' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -43.68 -47.78 7.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.0 m -72.33 -34.12 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 16.2 mt-10 -64.93 -27.4 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.28 -45.81 12.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -64.74 -17.08 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.502 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 18.0 ptpt -92.09 -31.77 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.655 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -75.94 -25.9 56.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.4 mt -75.69 -56.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -50.2 -35.72 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -66.79 -57.26 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -72.84 -66.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.53 26.89 23.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 179.66 30.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -119.28 89.38 3.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.704 ' HA ' HD12 ' A' ' 102' ' ' LEU . 17.6 m -56.55 -35.09 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.14 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.52 -51.1 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 99' ' ' VAL . 18.9 mt -40.0 -50.6 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -59.56 -44.64 93.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt-85 -60.97 -38.47 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.428 ' NH1' ' OE2' ' A' ' 85' ' ' GLU . 19.7 ttt85 -60.63 -56.83 16.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.4 p -44.77 -47.69 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.05 -42.31 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -73.58 -57.36 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' ALA . 86.9 mt -36.89 -50.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' HA ' HD23 ' A' ' 115' ' ' LEU . 10.6 mt-10 -55.09 -47.27 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 2.6 mptp? -67.36 -25.26 65.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.2 mt -85.52 6.27 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.25 -1.58 84.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -93.79 83.35 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 110' ' ' GLU . 54.0 mt -83.27 -39.21 21.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.86 -38.3 87.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.29 -51.86 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.588 ' O ' HD12 ' A' ' 122' ' ' LEU . . . -39.66 -42.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.404 ' CG2' HD11 ' A' ' 142' ' ' ILE . 43.4 t -65.61 -50.8 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.71 -61.55 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -49.78 -31.55 11.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 118' ' ' ALA . 20.3 mt -74.98 -49.37 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -38.86 -26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 122' ' ' LEU . 51.4 mtt-85 -77.74 -54.8 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.2 p -47.8 -22.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.4 t -81.16 -40.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 t -60.04 -56.61 19.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.493 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 3.1 mt -58.08 -39.83 79.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -117.86 85.93 23.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.49 33.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -83.28 -59.16 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.542 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 1.7 t-20 -34.45 120.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -25.52 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.463 ' HA ' ' CG ' ' A' ' 137' ' ' GLU . 77.0 t -55.12 -26.89 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 22.7 m-85 -78.49 -50.14 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -61.32 -40.78 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 134' ' ' VAL . 1.0 OUTLIER -65.97 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.62 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -57.39 -50.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -69.5 -19.14 63.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -73.63 -19.99 60.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.404 HD11 ' CG2' ' A' ' 119' ' ' VAL . 14.3 pt -115.24 -26.15 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 t -71.63 -35.92 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 112.44 -172.07 14.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 146' ' ' SER . 53.7 Cg_endo -69.76 149.75 67.28 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 145' ' ' PRO . 14.2 t -38.41 124.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.7 p -65.02 -39.5 93.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -150.51 147.5 27.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -104.86 145.56 30.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.97 170.49 42.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 m -156.53 173.79 16.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -152.29 178.51 9.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.26 -158.13 7.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -171.66 159.1 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.2 p -148.01 149.01 31.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -147.38 148.84 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 t -173.68 174.43 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.32 65.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.67 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.86 136.14 12.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 47.3 m -151.91 130.79 6.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.583 0.706 . . . . 0.0 111.113 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.44 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.736 2.291 . . . . 0.0 112.34 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -133.79 152.95 79.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.617 0.723 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -170.27 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.53 122.67 56.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.387 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.47 43.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -167.83 130.26 1.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 108.86 2.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.295 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.39 39.59 0.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.05 100.55 5.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -96.29 44.15 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.5 t -74.15 137.0 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.005 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.6 p -38.95 -39.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.3 -51.58 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -66.43 -70.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -39.16 -35.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 31' ' ' LEU . 6.5 ttp85 -35.17 -50.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -47.77 -49.01 29.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.479 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 6.3 tt0 -43.8 -44.58 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.05 -63.46 5.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' C ' ' HE2' ' A' ' 40' ' ' LYS . 55.6 m-80 -57.32 -56.84 16.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 86.3 mt-10 -44.76 -36.2 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -74.46 -31.76 62.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.9 t80 -71.92 -49.64 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HE2' ' C ' ' A' ' 36' ' ' ASN . 1.1 ptpm? -62.61 -7.6 5.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.9 t -107.25 -17.49 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.77 -36.31 4.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.26 92.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -81.94 -53.21 6.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.9 -27.26 4.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.99 -55.57 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.32 -39.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.603 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.3 tm? -68.11 -48.96 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.91 -47.82 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -54.04 -50.39 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -54.82 -36.34 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.8 m -57.18 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -49.74 -56.43 10.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.005 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -45.1 -55.66 5.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.0 mt -56.93 -37.14 71.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.92 -46.1 84.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 28' ' ' VAL . 82.2 mt -67.17 152.68 45.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.67 75.74 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.458 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -88.59 164.81 15.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.79 159.12 1.41 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.527 0.68 . . . . 0.0 111.171 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -11.92 31.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -94.23 -25.53 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.15 -28.39 25.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.47 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 22.2 mt-30 -63.74 -31.35 72.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -76.14 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 8.3 p -39.54 -35.71 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.5 mt -74.0 -37.82 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ALA . 32.4 m-70 -60.5 -57.71 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 66' ' ' VAL . 2.4 ptt-85 -56.98 -23.76 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.429 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 93.2 m-20 -75.13 -49.1 20.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.603 ' HE ' HD21 ' A' ' 48' ' ' LEU . 28.5 mtp180 -43.44 -55.6 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.37 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -48.68 -57.42 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.0 m -54.12 -49.61 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 62.1 m-70 -54.27 -52.67 60.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 81' ' ' TYR . 78.0 mt -46.96 -46.56 21.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -68.76 -31.23 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 79' ' ' GLU . 13.1 mt -95.84 40.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 78' ' ' LEU . 10.9 tt0 36.4 42.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 83.8 m-20 -114.52 31.53 6.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.621 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 51.1 m-85 -42.1 -52.21 4.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' TYR . 3.4 m-20 -34.36 -57.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.8 -49.92 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.21 -50.91 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.37 -55.93 13.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -56.75 -45.16 82.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -58.03 -57.13 14.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 91' ' ' ALA . . . -45.14 -57.71 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 92' ' ' ILE . 29.7 t -43.44 -47.79 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -59.66 -32.96 70.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 88' ' ' ALA . . . -73.52 -18.31 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 89' ' ' SER . 64.3 mt -87.38 -54.39 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.7 -25.11 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -55.69 -60.02 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -98.42 -52.95 3.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.35 -48.43 0.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.47 55.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.31 102.76 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 12.1 m -70.96 -37.81 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -33.91 -41.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.54 -42.54 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 99' ' ' VAL . 10.3 mt -54.04 -46.55 71.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.36 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -67.67 -31.46 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -69.26 -53.91 17.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 p -47.8 -22.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -71.9 -49.5 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.39 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.95 -56.65 19.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.519 ' HA ' HD23 ' A' ' 115' ' ' LEU . 25.9 mt-10 -53.97 -39.37 65.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.621 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -56.01 -43.11 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.6 mt -79.29 8.02 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.39 -23.55 31.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -64.4 78.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 110' ' ' GLU . 60.0 mt -81.7 -41.45 21.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.97 -43.8 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.621 ' HA ' HD12 ' A' ' 120' ' ' LEU . 23.5 mp0 -61.72 -53.7 52.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.444 ' HB2' ' HG3' ' A' ' 110' ' ' GLU . . . -41.4 -44.41 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.46 -55.04 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 117' ' ' GLN . 9.0 mt -51.62 -60.08 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.55 -43.88 35.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.59 -48.51 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -40.3 -35.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -66.67 -50.24 63.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 56.2 m -45.93 -49.41 15.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.89 -24.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -81.01 -44.57 17.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.497 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -77.55 -25.77 50.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -129.62 87.84 51.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.14 34.24 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -93.95 -46.44 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.516 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 8.6 m120 -50.15 98.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -73.63 -33.25 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 135' ' ' PHE . 34.5 m -47.75 -26.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.516 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 17.4 m-85 -79.01 -48.06 15.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.86 -32.02 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -80.26 -37.67 32.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.2 -24.36 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.433 ' O ' HD13 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -71.44 -53.96 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -69.43 -22.88 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -61.67 -38.54 88.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 13.7 pt -100.06 -27.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.9 t -66.64 -35.58 80.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -47.21 149.17 2.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -19.89 35.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.3 m -50.13 149.01 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 99.5 p -86.56 152.61 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.487 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -158.07 176.02 13.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -148.58 171.62 15.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.8 -157.62 8.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -131.76 170.91 14.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -137.18 176.77 8.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.26 170.99 30.94 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -173.62 128.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.2 m -158.18 125.18 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -142.25 145.16 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -166.7 157.2 12.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.66 147.67 14.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -175.96 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 149.62 125.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 15' ' ' THR . 8.8 t -120.39 75.93 24.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.596 0.713 . . . . 0.0 111.15 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 173.33 11.18 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -88.11 152.01 49.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 92.97 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -126.0 161.08 53.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 112.75 3.15 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.391 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -150.61 -175.34 5.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 10.0 t -122.84 49.53 2.39 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.597 0.713 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 22' ' ' THR . 53.5 Cg_endo -69.76 157.45 60.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.89 -173.55 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.49 25.63 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.504 ' O ' HD11 ' A' ' 57' ' ' LEU . 46.0 p -99.8 -41.09 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.3 m -53.78 124.09 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.647 HG23 ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -48.97 -50.38 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -45.6 -45.76 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -73.01 -72.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -37.23 -37.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -35.96 -43.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -58.15 -46.05 86.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 12.8 tt0 -43.51 -44.93 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.94 -61.78 6.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' PHE . 91.3 m-20 -55.35 -54.98 36.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -40.33 -39.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.87 -30.83 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -65.82 -50.32 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -59.4 -10.42 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.6 t -103.21 -25.96 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.46 -34.1 4.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -49.65 94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -79.03 -44.77 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.62 -37.83 34.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -83.66 -58.86 2.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.23 -49.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.651 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.2 tm? -57.74 -54.58 45.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.73 -55.57 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -48.99 -50.58 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 20.5 m-85 -55.2 -42.79 73.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -48.46 -56.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -53.81 -53.98 44.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -42.16 -58.06 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.23 -42.56 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.36 -48.07 49.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.504 HD11 ' O ' ' A' ' 26' ' ' SER . 44.1 mt -65.85 151.98 45.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.31 78.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.07 148.94 21.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.08 159.99 12.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.621 0.724 . . . . 0.0 111.11 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.48 14.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -94.95 -38.95 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -34.06 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -48.88 -54.31 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.66 -57.43 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.3 t -48.49 -44.15 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.89 -50.98 62.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.645 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . 40.0 m-70 -55.58 -60.23 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -46.21 -33.36 3.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 15.4 m-80 -76.39 -43.86 38.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.651 ' HE ' HD21 ' A' ' 48' ' ' LEU . 35.1 mtp180 -51.29 -60.19 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -37.86 -40.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 70' ' ' ASN . . . -50.08 -58.78 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.8 m -48.99 -46.57 44.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -58.98 -59.23 5.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.6 mt -40.96 -43.24 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -67.67 -44.6 77.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -82.61 40.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 42.75 43.53 3.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -119.64 39.68 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 45.9 m-85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.543 ' HA ' HD11 ' A' ' 112' ' ' LEU . 0.8 OUTLIER -35.93 -60.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mttp -63.97 -51.85 62.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -33.97 -62.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -38.66 -61.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.2 m -58.94 -51.39 70.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.63 -56.71 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.12 -51.9 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -41.69 -37.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ILE . 41.6 mttt -68.06 -65.32 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 68' ' ' HIS . . . -43.75 -22.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' LYS . 71.0 mt -75.93 -56.14 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 94' ' ' LYS . 4.2 pt-20 -42.0 -48.31 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 93' ' ' GLU . 0.5 OUTLIER -44.42 -72.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -72.08 -68.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.42 -36.79 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.02 52.96 0.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -109.32 94.43 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 22.6 m -61.4 -32.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.0 -55.58 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.64 91.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 99' ' ' VAL . 4.1 mt -48.44 -60.1 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -43.38 -42.78 4.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -69.98 -43.95 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -47.96 -59.89 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' ' 109' ' ' LEU . 80.8 p -45.15 -49.82 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -45.13 -41.76 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.07 45.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 106' ' ' SER . 19.2 mt -51.15 -55.45 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.513 ' HA ' HD23 ' A' ' 115' ' ' LEU . 11.3 mt-10 -45.6 -43.89 12.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.554 ' HG3' ' CD2' ' A' ' 81' ' ' TYR . 15.4 mmtm -64.51 -34.58 78.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' A' ' 82' ' ' ASP . 72.9 mt -87.58 27.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.74 33.12 59.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.4 ' HD2' HD23 ' A' ' 109' ' ' LEU . 83.4 mtt-85 -114.04 47.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 110' ' ' GLU . 28.4 mt -58.67 -39.8 81.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -53.1 -39.78 63.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.466 ' HA ' HD12 ' A' ' 120' ' ' LEU . 24.4 mp0 -81.42 -41.53 21.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.19 -47.64 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.402 ' HA ' HD11 ' A' ' 142' ' ' ILE . 95.4 t -55.83 -53.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 117' ' ' GLN . 10.4 mt -52.29 -47.81 65.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.484 ' OD2' HD11 ' A' ' 109' ' ' LEU . 6.5 m-20 -59.02 -46.06 89.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 123' ' ' GLN . 29.7 mt -62.75 -46.89 85.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 122' ' ' LEU . 29.6 mt-30 -36.28 -48.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -56.11 -47.98 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 69.6 m -42.39 -51.4 4.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.15 -33.85 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.5 t -65.63 -60.16 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.486 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 7.1 mt -65.9 -33.05 74.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 23.4 mm-40 -123.45 93.75 47.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 54.0 Cg_endo -69.75 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 132' ' ' ASN . 6.7 mtpm? -59.43 -59.71 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.595 ' OD1' ' CZ ' ' A' ' 135' ' ' PHE . 1.6 t-20 -33.4 116.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 135' ' ' PHE . 2.4 mppt? -92.08 -47.12 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.528 HG23 ' CD1' ' A' ' 135' ' ' PHE . 30.6 m -35.26 -31.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.595 ' CZ ' ' OD1' ' A' ' 132' ' ' ASN . 15.7 m-30 -72.47 -51.37 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 133' ' ' LYS . 35.5 mt-30 -52.5 -47.63 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -65.98 -31.26 72.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.07 -49.61 60.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.91 -57.69 6.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -65.21 -34.29 78.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -55.76 -37.34 68.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 143' ' ' SER . 30.2 pt -96.74 -30.61 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 142' ' ' ILE . 2.8 t -67.44 -36.04 80.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -81.35 146.52 26.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.02 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 m -45.35 -45.63 12.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -64.76 -48.8 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -155.78 138.09 14.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -99.55 162.19 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.93 -120.43 3.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -160.17 158.03 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -81.48 176.27 9.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.01 -179.94 16.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.2 mtt -133.03 159.02 41.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.9 p -61.71 176.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -166.48 137.98 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -57.47 174.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.39 148.88 19.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -35.57 12.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.38 158.66 26.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.6 p -110.03 81.32 2.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.543 0.687 . . . . 0.0 111.146 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 177.57 5.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.308 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE1' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -102.87 144.81 29.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 0.0 110.843 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.74 122.1 8.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 19' ' ' ARG . 2.0 mpt_? -66.44 144.0 98.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.604 0.716 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 99.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.59 75.54 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 t -174.05 140.51 0.78 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -39.74 6.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.13 -29.5 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.46 34.14 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 m -116.9 -30.06 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m -76.35 125.06 28.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.5 p -41.68 -38.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.46 -41.48 97.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.3 tp60 -85.81 -64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 30' ' ' GLN . 11.8 ttp180 -41.36 -59.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -46.04 -31.58 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 9.3 tp10 -49.68 -56.37 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.47 -28.15 52.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -56.01 -42.99 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 36.9 mt-10 -69.16 -37.09 78.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -87.33 -49.87 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 2.5 pttp -63.34 -8.84 9.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 m -106.4 -22.45 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.76 -33.65 4.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -52.1 94.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.528 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 18.8 m-85 -84.46 -41.09 16.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.26 -32.58 21.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -90.78 -58.69 1.48 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.24 -43.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 71' ' ' ARG . 2.4 tm? -58.27 -47.92 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -53.41 -47.11 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.99 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -56.35 -44.86 80.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -50.87 -49.06 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -58.2 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -47.28 -57.15 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.72 -45.01 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.2 -37.91 11.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.9 mt -76.05 159.84 30.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -77.9 48.77 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.646 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -59.79 148.83 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.63 159.84 0.42 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 111.164 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -18.24 37.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -83.28 -27.73 29.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.33 -36.9 24.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -53.14 -49.44 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -49.09 -40.45 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -63.88 -51.41 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 54' ' ' ALA . 7.0 mt -62.05 -24.56 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.681 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 22.2 m-70 -72.67 -48.96 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.67 -26.72 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -80.78 -54.9 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.486 ' CZ ' HD21 ' A' ' 48' ' ' LEU . 1.4 mmm180 -41.02 -46.86 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.75 -40.21 66.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -60.89 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -38.15 -46.12 1.01 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' LEU . 8.5 m-70 -62.78 -61.05 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 81' ' ' TYR . 91.6 mt -41.05 -43.04 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 13.4 mptt -71.88 -34.37 69.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' HIS . 18.3 mt -92.64 37.48 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 45.27 42.61 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.407 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 29.3 m-20 -119.54 39.33 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.449 ' HA ' HD23 ' A' ' 76' ' ' LEU . 25.5 m-85 -51.8 -41.41 61.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.686 ' HA ' HD21 ' A' ' 112' ' ' LEU . 1.1 m-20 -42.69 -63.25 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' ALA . 34.3 mttp -61.46 -50.9 70.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -36.81 -55.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -40.26 -49.15 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -64.23 -65.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 6.6 mm-40 -41.59 -56.08 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -36.89 -59.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 p -49.02 -56.45 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -45.43 -32.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.681 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -73.91 -34.83 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.85 -57.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 12.9 pt-20 -46.8 -47.94 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 22.7 mmtm -40.91 -62.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 5.6 m-20 -90.5 -69.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.93 -49.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.507 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.81 54.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.81 95.61 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 20.9 m -67.33 -15.16 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -51.92 -44.96 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.23 -31.47 49.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 121' ' ' ASP . 11.1 mt -62.0 -44.98 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.08 -49.07 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -64.25 -24.96 67.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -65.82 -60.97 2.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' ' 109' ' ' LEU . 70.3 p -45.35 -45.86 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.81 -38.62 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.47 -53.55 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 106' ' ' SER . 27.0 mt -46.28 -45.65 17.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -58.3 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -73.88 -22.67 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 82' ' ' ASP . 65.3 mt -83.71 -5.88 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.42 -1.2 60.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -97.01 95.44 7.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.3 mt -88.36 -38.56 15.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.73 -50.24 72.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.415 ' H ' ' NE2' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -59.5 -50.12 75.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -41.99 -42.31 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.622 HG22 HG13 ' A' ' 142' ' ' ILE . 75.8 t -63.18 -60.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.9 mt -50.87 -45.21 59.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.475 ' OD2' HD11 ' A' ' 109' ' ' LEU . 2.1 m-20 -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.61 ' HB2' HD13 ' A' ' 139' ' ' LEU . 22.0 mt -64.87 -35.14 80.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -45.54 -56.95 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -56.71 -36.71 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.12 -34.94 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' A' ' 135' ' ' PHE . 80.9 t -90.32 -43.28 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 t -51.51 -29.94 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.507 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -91.14 -29.33 17.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -122.99 87.14 50.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -1.73 8.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -109.13 -39.53 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.643 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 1.8 m-20 -59.06 99.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 134' ' ' VAL . 15.5 pttt -78.04 -28.42 48.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 90.4 t -46.66 -29.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.643 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 7.6 m-85 -78.4 -45.28 22.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -58.11 -42.92 86.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.27 -34.32 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.05 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.61 HD13 ' HB2' ' A' ' 122' ' ' LEU . 16.1 tp -74.99 -42.17 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -62.49 -13.1 26.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -81.55 -54.66 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.622 HG13 HG22 ' A' ' 119' ' ' VAL . 7.5 pt -81.7 -45.68 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.485 ' N ' ' CG1' ' A' ' 142' ' ' ILE . 22.9 t -56.19 -35.43 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -84.36 169.7 45.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.97 3.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.314 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 60.5 p -55.56 161.06 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 31.8 t -83.09 -44.39 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t 49.65 41.92 22.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.899 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -151.88 176.12 11.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.63 163.04 14.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -124.45 177.49 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -143.8 122.09 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.25 171.25 46.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.9 ttt -168.25 151.31 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.817 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -132.0 158.76 40.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.47 134.22 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t -119.03 136.47 54.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -78.22 141.71 25.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -32.55 18.24 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.68 135.82 1.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.774 HG23 ' OE1' ' A' ' 17' ' ' GLU . 3.5 t -157.26 143.65 13.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 111.156 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.78 135.97 31.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.774 ' OE1' HG23 ' A' ' 15' ' ' THR . 7.3 mp0 -158.1 155.69 26.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 150.41 68.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.311 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -95.12 127.65 41.84 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -167.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.63 142.15 55.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.0 m -47.56 105.27 0.47 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.572 0.701 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -38.39 7.81 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.0 -136.11 1.97 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.86 46.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.8 p -117.6 104.34 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' GLU . 19.8 m -150.76 121.67 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.026 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.9 p -40.06 -25.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.165 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' SER . 15.2 tt0 -81.49 -45.22 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.1 tp60 -84.94 -65.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -41.4 -28.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -40.37 -55.17 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -47.09 -44.68 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -41.84 -41.82 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -65.5 2.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -49.23 -47.99 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -49.62 -38.65 32.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.55 -19.19 53.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -79.48 -48.36 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.61 -9.55 3.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.2 t -106.03 -18.93 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 44' ' ' TYR . . . 112.74 -35.62 4.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.49 96.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 19.6 m-85 -80.35 -48.64 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.93 -33.39 20.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.22 -59.63 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -37.79 -36.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -75.53 -47.05 28.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.89 -40.8 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -51.31 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 22.8 m-85 -54.08 -30.7 49.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -61.16 -57.58 11.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -52.93 -55.13 25.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.026 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -41.61 -57.11 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.51 -41.69 94.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.64 -37.8 14.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.444 HD12 ' H ' ' A' ' 28' ' ' VAL . 71.2 mt -78.23 147.21 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.89 86.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.594 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -103.54 163.16 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.9 160.54 68.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.625 0.726 . . . . 0.0 111.109 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.43 30.79 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -83.36 -27.6 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.87 -45.93 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.838 ' HA ' HD12 ' A' ' 67' ' ' LEU . 45.6 mt-30 -45.12 -60.87 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.779 ' HB2' ' CB ' ' A' ' 94' ' ' LYS . . . -39.01 -45.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 66' ' ' VAL . 2.8 t -61.49 -37.04 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.08 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 64' ' ' GLN . 4.9 mt -75.1 -50.21 17.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.406 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 18.8 m-70 -49.33 -49.28 44.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' O ' ' CZ ' ' A' ' 104' ' ' ARG . 7.7 ptm180 -66.08 -27.16 67.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 8.0 m-20 -74.23 -32.68 63.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -70.5 -40.78 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.02 -29.75 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB2' ' HE ' ' A' ' 104' ' ' ARG . . . -66.13 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.7 m -44.3 -55.58 4.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' LEU . 59.0 m-70 -44.53 -61.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -41.49 -35.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -81.02 -32.19 34.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 75' ' ' HIS . 10.6 mt -95.32 42.65 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 42.04 46.46 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.459 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 27.8 m-20 -124.02 37.81 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 111' ' ' LYS . 9.7 m-85 -53.71 -39.92 65.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.18 -59.07 3.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -64.79 -43.78 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.61 -44.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.15 -57.43 12.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.3 m -53.79 -57.61 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -42.89 -58.3 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.553 ' HA ' HD12 ' A' ' 92' ' ' ILE . 4.0 m -56.07 -44.95 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -61.28 -21.34 63.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -91.86 -8.05 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 89' ' ' SER . 55.0 mt -91.92 -43.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 13.0 pt-20 -52.84 -52.5 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.779 ' CB ' ' HB2' ' A' ' 65' ' ' ALA . 1.1 mptp? -37.21 -71.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 95' ' ' ASP . 27.4 t0 -77.84 -61.65 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.05 -49.0 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.49 49.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -99.43 119.58 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.4 m -85.77 -26.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -51.7 -42.68 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.75 44.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 99' ' ' VAL . 9.8 mt -53.2 -57.96 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -46.62 -35.72 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HE ' ' HB2' ' A' ' 73' ' ' ALA . 11.2 mtt85 -71.11 -45.13 64.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -50.33 -52.86 33.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' GLN . 79.5 p -45.2 -50.17 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' SER . 25.0 mt-30 -38.06 -52.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' LYS . . . -66.09 -55.99 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.622 HD23 ' CD ' ' A' ' 114' ' ' ARG . 80.2 mt -39.91 -52.4 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.468 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 14.9 mm-40 -61.33 -31.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.591 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -73.15 -38.7 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.28 3.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 115' ' ' LEU . . . 92.67 -46.9 2.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.622 ' CD ' HD23 ' A' ' 109' ' ' LEU . 2.3 ptp180 -44.97 90.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 113' ' ' GLY . 6.9 mt -91.77 -40.33 11.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.6 -29.11 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.57 ' NE2' ' N ' ' A' ' 117' ' ' GLN . 2.2 mp0 -81.87 -48.41 11.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.53 ' HB3' HD12 ' A' ' 142' ' ' ILE . . . -42.33 -43.88 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.78 -44.19 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.59 -27.21 68.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.61 -47.49 12.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' CYS . 32.5 mt -63.69 -52.23 61.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LEU . 74.3 mt-30 -37.68 -28.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 122' ' ' LEU . 14.8 mtt-85 -75.64 -44.93 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 122' ' ' LEU . 77.1 m -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.81 -39.99 87.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.5 t -66.32 -45.65 79.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -72.82 -30.92 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -125.69 87.44 55.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -9.81 27.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -100.58 -52.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -44.66 96.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -71.6 -20.01 62.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.705 HG23 ' CD1' ' A' ' 135' ' ' PHE . 12.8 m -59.21 -21.89 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.705 ' CD1' HG23 ' A' ' 134' ' ' VAL . 12.2 m-85 -88.78 -46.23 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -60.16 -26.41 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -85.71 -34.08 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.42 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.06 -58.59 3.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -64.65 -10.13 24.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -82.02 -17.31 47.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.53 HD12 ' HB3' ' A' ' 118' ' ' ALA . 3.5 pt -120.92 -28.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 12.6 t -71.7 -32.71 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -65.77 149.02 51.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 120.7 7.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.3 t -47.08 -46.68 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 44.2 t -68.36 112.59 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.462 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 m -128.38 176.39 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -154.31 175.41 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.52 -173.05 36.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -162.08 177.52 9.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -163.61 174.69 11.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.14 -153.98 8.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.3 mmt -143.63 173.35 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.4 p -100.65 -45.75 5.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.492 ' O ' HG12 ' A' ' 10' ' ' VAL . 12.9 t 43.37 43.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -122.36 126.71 48.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.71 146.21 16.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 174.69 9.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.61 61.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.3 p -144.5 153.97 55.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.705 . . . . 0.0 111.139 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 104.54 1.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.719 2.28 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -135.85 157.9 75.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -173.28 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.368 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -107.78 81.42 1.17 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -168.33 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.254 . . . . 0.0 112.383 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.77 178.14 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.3 m -146.11 124.01 6.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.577 0.703 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 86.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.38 -160.76 10.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -98.89 42.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 m -125.61 101.61 6.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.0 m -149.28 126.4 11.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.4 p -41.39 -35.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -70.82 -49.28 48.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.563 ' CD ' ' N ' ' A' ' 31' ' ' LEU . 1.4 tm0? -81.78 -68.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -34.33 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.1 ttp85 -36.8 -51.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -52.75 -46.99 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -40.58 -39.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.99 -59.94 5.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 39' ' ' PHE . 7.6 m-80 -55.52 -57.01 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -39.47 -37.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 mt -81.28 -32.72 33.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' ASN . 32.6 t80 -68.62 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -6.07 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.5 m -104.89 -21.83 13.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.77 -34.46 4.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.52 98.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 77' ' ' LYS . 21.1 m-85 -86.66 -46.82 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 -35.23 7.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -86.24 -54.99 2.57 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.94 -54.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.4 tm? -49.85 -57.57 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.51 -52.12 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.79 -46.31 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.15 -46.14 89.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -45.98 -56.52 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.67 -62.78 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.901 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -38.22 -42.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.91 -43.72 57.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -47.3 -38.36 12.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.05 157.11 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -78.96 45.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB3' ' OE1' ' A' ' 64' ' ' GLN . . . -57.53 169.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -59.72 157.22 29.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -3.96 13.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -94.9 -27.83 15.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.507 ' O ' HG12 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -82.09 -46.31 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.7 ' OE1' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -49.45 -24.56 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -78.76 -63.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 63' ' ' ASP . 10.7 p -49.29 -32.59 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.99 -47.52 36.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -51.22 -52.74 41.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.2 ptp180 -57.82 -43.44 85.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 6.7 m-20 -58.31 -52.84 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ALA . 35.1 mtm180 -41.5 -51.05 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ARG . . . -37.17 -49.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.27 -53.96 24.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.6 m -44.01 -48.92 8.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 80' ' ' ASP . 20.3 m-70 -65.86 -56.5 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.7 mt -40.65 -43.9 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 44' ' ' TYR . 2.4 mptm? -68.57 -46.36 69.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.46 41.99 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 38.82 47.83 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.449 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 17.0 m-20 -120.2 37.26 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 59.9 m-85 -47.56 -49.7 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -39.59 -63.49 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -66.36 -44.21 83.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.54 -54.23 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.11 -51.56 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.4 m -52.54 -56.39 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -45.73 -48.76 15.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.97 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.7 p -51.47 -46.46 63.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -50.15 -39.62 44.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.93 59.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.42 -40.17 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 5.3 pt-20 -69.15 -35.15 76.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 39.6 mmtt -53.6 -60.81 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -96.99 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 122.67 -48.43 0.95 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.05 56.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.02 85.52 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.821 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.722 HG21 ' HG3' ' A' ' 129' ' ' GLU . 28.1 m -63.54 -29.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -47.31 -55.71 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.8 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 99' ' ' VAL . 6.0 mt -52.98 -46.76 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -58.87 -43.27 90.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' ARG . 13.5 mtp85 -66.45 -51.27 58.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' ARG . 43.4 ttt180 -38.07 -59.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -41.28 -44.88 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -43.46 -41.3 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.04 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.5 mt -42.92 -61.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -51.09 -47.62 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 11.0 tptt -53.85 -38.21 64.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.68 28.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 55.28 30.58 55.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -106.38 48.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -56.11 -33.12 64.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -64.7 -37.98 89.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.782 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.0 mp0 -80.41 -45.36 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.46 -46.83 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.51 HG13 HD11 ' A' ' 139' ' ' LEU . 45.3 t -62.52 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.4 mt -46.23 -44.56 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -60.32 -54.92 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 124' ' ' ARG . 33.0 mt -55.7 -44.23 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 122' ' ' LEU . 32.2 mt-30 -37.57 -31.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -78.88 -57.59 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.435 ' SG ' HD23 ' A' ' 122' ' ' LEU . 20.4 p -49.17 -28.24 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 135' ' ' PHE . 57.5 t -83.57 -28.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.9 t -77.59 -56.77 4.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.502 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 5.7 mt -57.27 -29.78 64.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.722 ' HG3' HG21 ' A' ' 99' ' ' VAL . 10.5 mm-40 -118.73 100.0 51.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -37.32 9.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 133' ' ' LYS . 47.4 mtmt -76.65 -52.14 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.578 ' HB3' ' CE2' ' A' ' 135' ' ' PHE . 3.3 m120 -38.97 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 131' ' ' LYS . 26.7 tttm -77.35 -42.21 37.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 133' ' ' LYS . 84.8 t -35.84 -33.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.627 ' CB ' HG22 ' A' ' 126' ' ' VAL . 18.0 m-85 -72.89 -48.86 33.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 80.6 mt-30 -56.36 -47.31 79.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -63.67 -34.08 77.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.62 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.51 HD11 HG13 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -55.46 -53.72 52.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -65.9 -34.53 78.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -58.04 -38.31 76.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 119' ' ' VAL . 27.6 pt -92.58 -29.26 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.435 ' N ' HG13 ' A' ' 142' ' ' ILE . 4.8 t -69.29 -39.7 78.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' SER . . . -38.11 146.49 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.459 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.75 19.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.726 2.284 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 54.7 p -108.12 148.62 29.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 91.4 p -93.44 107.73 19.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -133.13 177.21 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 p -174.68 137.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.14 -126.02 2.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -129.49 161.65 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -160.74 158.04 27.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.819 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.06 75.37 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -140.74 149.35 42.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.8 p -156.58 127.15 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.8 t -120.6 128.07 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.2 p -170.73 147.41 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.73 143.44 8.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 127.85 15.15 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.85 169.29 14.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -123.73 119.85 26.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 0.0 111.131 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -87.79 148.07 42.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 88.01 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -88.31 134.29 34.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 148.13 64.61 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.18 158.89 25.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.062 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.2 t -37.75 141.69 0.47 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.582 0.706 . . . . 0.0 111.11 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 132.62 23.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.73 -50.47 0.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.43 109.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.9 m 61.52 37.79 16.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 30' ' ' GLN . 21.8 m -105.66 120.9 42.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.014 HG23 ' HB1' ' A' ' 54' ' ' ALA . 2.8 p -38.23 -39.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -68.18 -41.45 81.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.1 tp60 -86.42 -66.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.585 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -39.39 -27.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.3 ttp180 -38.36 -49.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -54.68 -48.13 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 38' ' ' LEU . 4.4 tp10 -38.93 -36.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.08 -60.44 3.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.2 m-20 -56.47 -52.65 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.7 -34.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 34' ' ' GLU . 18.9 mt -81.95 -28.83 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' ASN . 27.4 t80 -66.55 -46.16 77.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.2 -7.27 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.5 m -102.08 -23.46 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.05 10.08 30.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.84 92.69 7.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 7.9 m-85 -77.79 -35.81 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.53 -35.93 87.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -88.64 -57.58 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.34 -41.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.0 tm? -65.96 -43.08 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -52.37 -45.67 65.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.37 -50.97 71.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -52.98 -40.3 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.5 m -53.23 -59.21 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -48.86 -57.93 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.014 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -44.17 -55.25 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.38 -30.87 65.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.63 33.7 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 59' ' ' ALA . 54.1 mt -139.98 146.43 39.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.71 76.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -109.55 157.58 18.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.77 159.91 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 111.168 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.37 22.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.658 2.238 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 66' ' ' VAL . 38.3 tt0 -73.8 -24.39 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.38 -41.59 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.7 mt-30 -55.18 -43.24 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.606 HG13 HH21 ' A' ' 69' ' ' ARG . 90.5 t -56.78 -27.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.07 -43.88 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 46.6 m-70 -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.606 HH21 HG13 ' A' ' 66' ' ' VAL . 20.8 ptt180 -60.43 -26.78 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 86.1 m-20 -76.05 -52.09 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.412 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 68.0 mtp180 -46.8 -44.84 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.99 -58.67 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.03 -59.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 7.4 m -44.49 -53.78 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 83' ' ' LYS . 5.8 m-70 -55.32 -57.88 10.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.664 HD23 ' HD1' ' A' ' 81' ' ' TYR . 19.0 mt -38.35 -50.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 23.7 mmtp -61.67 -34.69 76.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 75' ' ' HIS . 11.1 mt -94.74 40.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 39.23 32.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.42 ' HB2' ' CA ' ' A' ' 75' ' ' HIS . 23.3 m-20 -100.84 40.25 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.664 ' HD1' HD23 ' A' ' 76' ' ' LEU . 5.4 m-85 -50.23 -49.55 52.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' TYR . 6.3 m-20 -33.98 -57.5 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . 19.5 mtpt -72.41 -54.05 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -36.73 -65.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' OE2' HD12 ' A' ' 112' ' ' LEU . 11.3 tt0 -42.88 -38.5 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.1 m -77.73 -33.11 53.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.406 ' C ' ' HG2' ' A' ' 90' ' ' LYS . 17.3 mm-40 -68.87 -31.59 70.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.17 -46.98 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.452 ' HB2' ' CD ' ' A' ' 105' ' ' ARG . 38.4 t -63.45 -16.5 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 87' ' ' GLU . 16.5 ptpt -92.75 -26.87 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 68' ' ' HIS . . . -83.26 -9.93 58.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.525 HD12 HH21 ' A' ' 105' ' ' ARG . 36.7 mt -85.53 -61.82 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -45.64 -33.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -55.94 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.58 -68.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.72 -44.13 1.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.19 40.38 2.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -115.19 69.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.007 HG13 HD22 ' A' ' 128' ' ' LEU . 21.7 m -52.74 -22.55 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -54.44 -42.23 70.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.7 -27.87 50.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 99' ' ' VAL . 11.9 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -62.76 -20.98 65.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -82.6 -48.1 11.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.525 HH21 HD12 ' A' ' 92' ' ' ILE . 4.1 ttm180 -53.66 -44.33 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.51 ' HA ' HD12 ' A' ' 109' ' ' LEU . 78.9 p -53.82 -46.18 71.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -45.14 -38.41 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.84 -45.73 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 106' ' ' SER . 21.5 mt -41.16 -57.26 2.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.473 ' OE1' HD22 ' A' ' 115' ' ' LEU . 16.5 mm-40 -56.12 -43.26 77.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.571 ' HD2' ' CE2' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -53.13 -45.21 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.412 HD12 ' OE2' ' A' ' 85' ' ' GLU . 68.7 mt -82.59 19.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.53 7.72 74.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 70.81 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.473 HD22 ' OE1' ' A' ' 110' ' ' GLU . 20.9 mt -82.42 -26.93 32.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.0 -40.66 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.463 ' HB2' HD22 ' A' ' 109' ' ' LEU . 3.7 mp0 -78.61 -46.39 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.41 ' HB3' ' OE2' ' A' ' 110' ' ' GLU . . . -43.18 -38.85 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.89 -54.59 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 117' ' ' GLN . 8.1 mt -56.86 -59.52 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.45 ' O ' HD22 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -48.15 -34.41 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.442 ' HB3' HD12 ' A' ' 139' ' ' LEU . 38.6 mt -79.19 -37.97 36.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.563 ' HG2' HD11 ' A' ' 139' ' ' LEU . 24.1 mt-30 -56.78 -16.27 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -89.11 -25.8 21.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 73.5 m -67.93 -34.71 77.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.66 -34.15 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.8 t -62.27 -65.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.007 HD22 HG13 ' A' ' 99' ' ' VAL . 2.0 mp -52.51 -45.32 66.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -118.48 84.81 24.7 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -5.08 15.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -101.93 -52.0 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -41.09 123.76 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 136' ' ' GLN . 8.9 mptt -85.77 -42.73 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' LYS . 11.6 t -34.82 -34.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 133' ' ' LYS . 13.7 m-85 -79.4 -45.12 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 133' ' ' LYS . 76.1 mt-30 -57.84 -24.15 56.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.56 -54.45 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -44.27 -32.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.563 HD11 ' HG2' ' A' ' 123' ' ' GLN . 0.6 OUTLIER -85.96 -43.86 12.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -65.36 -21.05 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -80.38 -54.34 5.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 143' ' ' SER . 25.0 pt -71.14 -30.8 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 142' ' ' ILE . 17.0 t -81.0 -30.14 35.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -89.13 164.95 32.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 94.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.234 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 10.2 t -80.99 97.93 7.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 69.0 m 41.03 41.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -159.08 176.58 12.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.6 p -139.9 175.87 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.22 155.98 7.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -172.46 144.19 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -151.21 176.92 10.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.27 113.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.94 147.55 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 p -152.38 125.71 8.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.16 127.86 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.6 p -142.12 163.62 32.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.1 146.32 18.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.549 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -176.6 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 141.45 109.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.8 p -128.02 144.15 50.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 111.2 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.706 2.271 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -51.29 150.93 5.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.721 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 96.59 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -97.0 137.18 21.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.87 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.27 . . . . 0.0 112.345 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.41 166.0 30.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -41.33 141.84 1.03 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 116.11 4.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -146.45 63.37 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 41.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.534 ' O ' HD11 ' A' ' 57' ' ' LEU . 20.0 m -120.91 -41.07 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -64.44 131.01 45.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.954 HG23 ' CB ' ' A' ' 54' ' ' ALA . 3.8 p -58.99 -38.07 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 2.0 pm0 -67.81 -37.34 81.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' ARG . 58.0 tt0 -86.77 -71.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.523 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -33.96 -33.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.58 ' HD2' HD21 ' A' ' 67' ' ' LEU . 7.7 tpt180 -34.23 -58.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -41.61 -49.99 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 8.7 tt0 -42.11 -43.59 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.09 -45.16 89.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.441 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.425 ' C ' ' HE3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -68.2 -59.19 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' HA ' ' CD ' ' A' ' 40' ' ' LYS . 48.9 mt-10 -41.86 -48.33 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 46' ' ' GLY . 17.7 mt -64.6 -35.27 80.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -68.34 -52.74 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 37' ' ' GLU . 13.5 ptpt -59.01 -10.63 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.3 t -103.76 -24.02 13.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.51 -34.85 4.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -51.27 97.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.471 ' CZ ' ' HD2' ' A' ' 77' ' ' LYS . 21.7 m-85 -82.69 -46.49 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.4 -36.15 29.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.475 ' C ' HD13 ' A' ' 38' ' ' LEU . . . -84.43 -55.89 2.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.458 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -39.45 -51.86 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.747 HD21 ' HE ' ' A' ' 71' ' ' ARG . 3.3 tm? -54.19 -56.07 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.51 -51.85 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.636 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -56.19 -59.26 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -47.97 -38.37 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.0 m -58.09 -59.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.44 -56.84 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.954 ' CB ' HG23 ' A' ' 28' ' ' VAL . . . -45.14 -49.06 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.79 -32.35 70.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.36 31.64 3.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.534 HD11 ' O ' ' A' ' 26' ' ' SER . 75.1 mt -137.4 151.31 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.63 86.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.842 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -118.23 155.9 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -48.58 157.0 0.77 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.48 23.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -93.6 -35.73 12.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -78.69 -26.35 44.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 54.7 mt-30 -66.46 -45.09 80.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 94' ' ' LYS . . . -66.32 -56.5 10.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' A' ' 63' ' ' ASP . 6.3 p -46.67 -38.66 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.58 HD21 ' HD2' ' A' ' 32' ' ' ARG . 21.2 mt -69.15 -38.42 78.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 13.5 m-70 -57.41 -46.52 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 70' ' ' ASN . 7.7 ptt180 -70.37 -33.95 72.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 8.6 m120 -59.45 -51.95 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.747 ' HE ' HD21 ' A' ' 48' ' ' LEU . 47.7 mtp180 -43.58 -43.63 5.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.07 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.17 -59.62 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.2 m -52.89 -48.12 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 58.2 m-70 -50.22 -65.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 81' ' ' TYR . 28.3 mt -37.22 -42.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 44' ' ' TYR . 56.4 mmtt -67.38 -41.95 84.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 75' ' ' HIS . 8.9 mt -83.29 42.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 17.9 mt-10 35.55 32.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' LEU . 90.8 m-20 -109.61 39.62 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 111' ' ' LYS . 77.6 m-85 -41.02 -48.04 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -43.46 -53.78 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -54.29 -45.05 72.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.57 -40.25 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -52.51 -46.79 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -74.6 -38.53 62.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.475 ' HA ' ' CD ' ' A' ' 90' ' ' LYS . 62.8 mm-40 -64.47 -32.98 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 -37.22 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 t -76.16 -23.64 54.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' CD ' ' HA ' ' A' ' 87' ' ' GLU . 9.6 ptmt -87.12 -25.16 24.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . . . -82.34 -35.79 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' GLY . 57.5 mt -64.9 -56.35 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -47.28 -45.98 24.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 7.7 mmtp -49.75 -49.85 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD1' ' CB ' ' A' ' 65' ' ' ALA . 17.5 m-20 -88.05 -66.09 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . 122.98 -49.51 0.89 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -123.21 65.15 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -122.29 102.94 8.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.606 HG11 ' HG2' ' A' ' 129' ' ' GLU . 3.1 m -66.27 -29.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -44.88 -59.99 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.39 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.09 -60.17 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -47.09 -39.23 12.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 -72.6 -39.74 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -52.57 -38.89 60.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -67.36 -22.65 65.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -72.31 -43.02 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD1' ' OD2' ' A' ' 121' ' ' ASP . 43.2 mt -59.98 -55.62 31.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -43.27 -42.53 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 21.3 mmtt -71.68 -50.42 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.03 -24.92 60.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.95 31.54 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.483 ' NE ' ' OE1' ' A' ' 117' ' ' GLN . 26.4 mtp85 -121.9 82.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.82 -35.17 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.459 ' HB3' ' NE2' ' A' ' 117' ' ' GLN . 16.9 t0 -49.69 -40.39 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.483 ' OE1' ' NE ' ' A' ' 114' ' ' ARG . 1.7 mp0 -82.12 -43.54 17.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.81 -43.1 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.81 -64.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.3 mt -46.11 -52.21 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 109' ' ' LEU . 24.3 m-20 -50.85 -46.13 60.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 139' ' ' LEU . 31.4 mt -64.37 -45.18 88.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.437 ' HG2' HD11 ' A' ' 139' ' ' LEU . 50.1 mt-30 -38.79 -43.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -67.09 -49.12 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 71.1 m -39.54 -47.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.91 -38.17 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.4 t -60.19 -40.6 90.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.5 ' HB2' HG12 ' A' ' 99' ' ' VAL . 10.6 mt -78.84 -42.95 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.606 ' HG2' HG11 ' A' ' 99' ' ' VAL . 41.8 mm-40 -115.01 90.21 22.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 129' ' ' GLU . 53.5 Cg_endo -69.74 -25.21 28.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 132' ' ' ASN . 19.1 ptpt -81.37 -42.13 20.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.51 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 6.3 m120 -54.83 106.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' VAL . 40.8 mtmt -78.43 -43.27 27.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' LYS . 59.0 t -36.16 -42.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.155 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 20.2 m-85 -67.37 -48.76 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -50.07 -21.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 140' ' ' ARG . 2.1 mm-40 -93.79 -46.38 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -45.62 -43.64 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -65.64 -71.09 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.426 ' CG ' ' HA ' ' A' ' 137' ' ' GLU . 13.6 ptt85 -42.45 -34.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -54.19 -54.73 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.492 HG13 ' N ' ' A' ' 143' ' ' SER . 26.0 pt -80.23 -42.8 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.492 ' N ' HG13 ' A' ' 142' ' ' ILE . 3.2 t -54.5 -44.31 72.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -68.19 -166.02 3.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 159.24 54.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.4 p -115.49 -45.47 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 68.0 p 41.35 42.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -162.95 173.71 13.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -155.93 165.55 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.72 -176.5 39.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -145.71 177.69 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -157.39 173.3 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.96 118.63 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -163.47 175.92 10.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.0 t -150.28 152.34 34.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.4 t -139.56 124.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -56.89 168.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.22 -113.31 1.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.56 56.49 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.304 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.17 -138.04 5.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.0 m -165.8 105.04 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 164.17 35.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -157.35 145.3 14.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 151.01 68.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -79.85 144.05 59.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 109.94 2.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.44 30.59 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 t -160.99 141.21 8.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.27 32.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.98 172.07 28.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.43 56.34 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -121.74 -23.06 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 t -59.27 136.87 58.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 59' ' ' ALA . 1.4 p -52.23 -48.11 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -50.49 -39.17 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' ARG . 3.3 tp-100 -86.73 -67.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -37.92 -27.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' GLN . 2.2 ttp85 -40.49 -45.79 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -53.06 -50.92 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.728 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 27.2 tt0 -41.23 -40.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.88 -43.9 48.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -69.06 -61.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' N ' ' HE3' ' A' ' 40' ' ' LYS . 51.4 mt-10 -39.56 -44.28 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.7 -34.61 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' ASN . 13.0 t80 -69.79 -49.68 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 37' ' ' GLU . 13.2 ptpt -62.87 -7.38 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.7 t -105.37 -19.59 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.05 -33.4 5.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.51 98.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 18.5 m-85 -84.95 -44.36 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.57 -30.45 20.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . -92.54 -57.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.95 -35.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 111.055 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.3 tm? -68.66 -46.1 70.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -49.9 -43.17 49.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.728 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -63.39 -50.97 67.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -55.79 -36.89 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -55.99 -51.55 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.26 -49.41 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -43.62 -53.53 5.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.501 HD12 ' HD2' ' A' ' 71' ' ' ARG . 14.0 mt -62.38 -39.05 91.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.2 -44.84 74.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 59' ' ' ALA . 27.0 mt -75.64 134.01 40.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -55.91 84.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.752 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -99.47 153.37 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -37.58 156.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.129 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -13.63 34.85 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -93.96 -19.16 21.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.562 ' O ' HD12 ' A' ' 67' ' ' LEU . 1.1 m-20 -92.77 -31.23 15.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 30.6 mt-30 -61.7 -30.32 70.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -77.96 -66.18 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' ALA . 11.4 p -37.53 -36.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 63' ' ' ASP . 10.5 mt -71.97 -46.08 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' ALA . 19.2 m-70 -52.06 -49.95 62.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -65.43 -23.21 66.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.68 -47.04 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' HD2' HD12 ' A' ' 55' ' ' LEU . 14.2 mtp-105 -57.24 -29.72 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . . . -59.11 -42.93 91.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 76' ' ' LEU . . . -54.58 -56.23 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.23 -51.75 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -57.72 -53.24 60.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 81' ' ' TYR . 71.9 mt -47.45 -50.56 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 27.9 mmtm -61.34 -29.13 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 79' ' ' GLU . 7.5 mt -97.8 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' LEU . 4.4 tt0 35.35 45.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ASP . 35.2 t0 -125.77 35.7 4.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 111' ' ' LYS . 64.3 m-85 -40.75 -26.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 80' ' ' ASP . 6.9 m-20 -47.27 -68.17 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' N ' ' HE3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -61.35 -42.21 98.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.95 -60.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -44.91 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.514 HG22 ' HE3' ' A' ' 90' ' ' LYS . 21.5 m -38.5 -57.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 10.9 mt-10 -52.53 -37.37 57.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 85' ' ' GLU . . . -64.33 -36.3 83.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.4 p -76.01 -27.15 57.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.514 ' HE3' HG22 ' A' ' 86' ' ' THR . 66.5 mttt -74.73 -33.06 62.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.05 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.0 mt -82.42 -52.43 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 14.0 pt-20 -60.8 -39.52 89.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 17.2 mmtt -54.16 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -94.07 -70.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.43 -55.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -92.17 57.86 2.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -129.19 96.37 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 4.0 m -73.83 -23.25 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -53.6 -35.33 60.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.68 -44.48 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.068 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 99' ' ' VAL . 7.1 mt -47.48 -50.73 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.79 -48.42 72.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -54.46 -45.08 73.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -53.32 -54.75 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -48.55 -47.15 39.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.59 -36.92 37.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 109' ' ' LEU . . . -82.63 -53.04 6.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 108' ' ' ALA . 78.4 mt -35.76 -56.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -51.17 -55.3 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.54 ' HG2' ' CD1' ' A' ' 81' ' ' TYR . 6.8 tptt -53.83 -50.74 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.77 -24.29 61.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 121.97 -17.55 8.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.73 102.01 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.3 mt -90.68 -64.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -37.49 -46.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -61.48 -51.21 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -40.14 -45.67 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.58 HG13 HD11 ' A' ' 139' ' ' LEU . 40.6 t -70.42 -44.84 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.3 mt -56.82 -55.57 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 121' ' ' ASP . 0.1 OUTLIER -51.17 -35.64 37.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 124' ' ' ARG . 83.2 mt -70.94 -52.88 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -38.82 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' LEU . 69.2 mtt180 -84.28 -46.25 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 122' ' ' LEU . 19.5 p -58.82 -25.94 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.1 t -77.44 -32.48 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 t -69.44 -53.12 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.49 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.8 mt -63.14 -25.71 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.415 ' HG3' ' ND2' ' A' ' 132' ' ' ASN . 31.8 mm-40 -125.08 88.99 53.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.7 12.56 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 133' ' ' LYS . 16.3 mmmt -110.44 -53.3 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.415 ' ND2' ' HG3' ' A' ' 129' ' ' GLU . 2.0 m-20 -36.62 95.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 131' ' ' LYS . 13.7 mmtp -73.65 -39.51 64.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.549 HG23 ' CD1' ' A' ' 135' ' ' PHE . 34.1 m -37.59 -32.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.549 ' CD1' HG23 ' A' ' 134' ' ' VAL . 16.3 m-85 -76.66 -51.07 12.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -51.93 -28.88 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.93 -47.29 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -54.79 -36.39 64.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.58 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -53.96 -58.86 5.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -66.77 -35.52 80.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -52.97 -27.8 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 143' ' ' SER . 28.2 pt -108.41 -30.63 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.449 ' N ' HG13 ' A' ' 142' ' ' ILE . 4.8 t -74.15 -20.2 60.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 136.99 142.96 4.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 164.6 33.91 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.1 t -72.61 -57.48 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 36.3 p -80.7 108.22 14.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -166.96 119.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -153.98 163.81 39.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.68 145.56 11.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -173.86 152.76 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -154.36 176.1 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.1 125.1 2.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.538 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.8 ttm -174.08 128.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 83.4 m -161.11 131.03 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -147.36 134.75 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -170.77 163.5 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.92 82.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -177.42 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.42 145.14 4.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 m -160.26 127.38 2.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.709 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.53 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -125.81 144.28 47.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.675 0.75 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.56 7.94 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.301 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -116.62 81.9 11.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.495 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 53.8 Cg_endo -69.74 -176.29 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . 71.83 34.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -121.32 141.73 33.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.134 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 114.96 3.88 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.62 111.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.01 108.75 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -114.69 40.18 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.1 m -92.88 117.99 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.964 HG23 ' HB1' ' A' ' 54' ' ' ALA . 1.5 p -40.19 -30.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -74.6 -46.68 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' ARG . 6.7 tp-100 -87.13 -61.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.7 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -37.75 -32.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.588 ' NH2' HG21 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -39.15 -59.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -43.33 -44.56 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -42.16 -41.67 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.97 -52.3 29.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -54.98 -56.92 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.855 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.52 -41.76 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 mt -71.5 -35.34 70.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' ASN . 18.4 t80 -66.72 -50.96 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -63.16 -7.33 5.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.14 -23.51 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 -32.7 5.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.35 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -83.33 -49.2 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.14 -32.04 9.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.7 -56.48 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -37.53 -41.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.41 -48.93 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.7 -51.7 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.23 -55.86 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -50.08 -33.93 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.0 m -60.28 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -48.2 -51.21 26.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.964 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -49.61 -50.9 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD1' ' CZ ' ' A' ' 71' ' ' ARG . 19.3 mt -63.63 -46.03 87.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.29 -44.24 27.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.23 148.15 47.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -73.27 85.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.673 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -96.59 174.64 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.28 159.19 31.89 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 0.0 111.165 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.29 36.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 0.0 112.312 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -89.76 -17.86 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.46 ' O ' HG12 ' A' ' 66' ' ' VAL . 4.7 t70 -93.35 -31.99 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.55 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 13.5 mt-30 -59.91 -21.46 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' HIS . . . -83.13 -63.18 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.588 HG21 ' NH2' ' A' ' 32' ' ' ARG . 10.9 p -42.46 -36.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.53 -31.49 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 64' ' ' GLN . 7.7 m-70 -67.7 -54.05 22.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.56 HH21 HG23 ' A' ' 66' ' ' VAL . 34.6 ptt180 -61.23 -27.22 68.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 66' ' ' VAL . 2.8 m-80 -78.16 -56.33 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.582 ' CZ ' ' CD1' ' A' ' 55' ' ' LEU . 16.6 mtm180 -39.57 -45.78 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.48 ' N ' ' OE1' ' A' ' 87' ' ' GLU . . . -41.58 -50.42 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -43.55 -63.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.4 m -38.36 -56.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -54.89 -59.08 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 81' ' ' TYR . 22.0 mt -43.68 -45.25 6.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -64.93 -35.94 82.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.41 35.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 51.19 46.7 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -126.11 74.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.63 ' CE2' ' CD ' ' A' ' 111' ' ' LYS . 18.6 m-85 -88.31 -34.7 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.29 -37.61 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -86.1 -46.27 10.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.9 -57.65 2.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.77 -48.42 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -56.34 -59.73 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 72' ' ' ALA . 44.1 mt-10 -46.35 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' GLU . . . -34.99 -60.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.3 t -40.89 -56.37 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -49.17 -48.96 44.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.23 -62.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' HG ' ' A' ' 102' ' ' LEU . 70.2 mt -52.24 -25.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.52 -37.17 32.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -59.51 -50.07 75.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.24 -70.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.96 -41.67 1.55 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.15 53.88 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -119.13 92.34 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 128' ' ' LEU . 17.8 m -64.02 -35.72 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 99' ' ' VAL . 14.3 mmmm -37.48 -38.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' A' ' 69' ' ' ARG . . . -82.46 -37.71 25.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 99' ' ' VAL . 7.9 mt -58.28 -40.73 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -69.03 -27.99 66.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -83.33 -32.55 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -63.8 -45.06 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.8 p -50.5 -45.55 56.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -49.58 -35.05 19.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.08 -55.55 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.1 mt -44.17 -42.72 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.434 ' HA ' HD23 ' A' ' 115' ' ' LEU . 24.0 mm-40 -56.69 -54.38 46.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.63 ' CD ' ' CE2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -62.53 -26.81 68.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.84 -0.33 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.53 8.51 87.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.54 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -97.81 57.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 110' ' ' GLU . 50.6 mt -55.89 -60.49 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' LEU . 3.3 m-20 -35.3 -42.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.809 ' HA ' HD12 ' A' ' 120' ' ' LEU . 19.4 mm-40 -68.88 -50.91 45.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -38.55 -47.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.589 HG13 HD11 ' A' ' 139' ' ' LEU . 30.0 t -63.77 -42.43 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 117' ' ' GLN . 10.6 mt -64.4 -51.14 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.1 -17.09 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.3 mt -92.85 -39.49 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -47.75 -20.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -88.01 -32.69 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.427 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 94.7 m -54.68 -27.11 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.3 t -86.24 -39.5 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.8 t -61.99 -35.88 79.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.488 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 4.4 mt -83.85 -38.98 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.425 ' HG2' HG21 ' A' ' 99' ' ' VAL . 10.4 mm-40 -126.45 84.01 63.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.743 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -7.03 20.02 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -99.35 -28.05 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.688 ' CB ' ' CE2' ' A' ' 135' ' ' PHE . 0.9 OUTLIER -66.1 76.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 134' ' ' VAL . 0.0 OUTLIER -46.86 -40.61 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.448 ' N ' ' HG2' ' A' ' 133' ' ' LYS . 28.5 m -39.11 -40.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.688 ' CE2' ' CB ' ' A' ' 132' ' ' ASN . 13.9 m-85 -72.13 -52.51 16.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -43.72 -29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -92.65 -52.1 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -41.94 -31.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.589 HD11 HG13 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -69.42 -57.54 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -34.82 76.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.5 -37.14 47.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 pt -102.9 -24.42 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.6 t -75.55 -21.21 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -60.92 146.19 47.7 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 155.81 64.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 26.8 m -62.8 149.34 44.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.9 p -102.02 143.28 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -167.42 147.68 5.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -155.53 172.31 18.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.82 173.3 39.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -122.05 157.21 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -126.94 153.17 46.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.69 133.5 2.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -170.66 153.85 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -172.8 141.83 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -152.96 166.34 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.59 171.6 13.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.33 93.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -175.24 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.25 178.9 18.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.3 p -135.28 141.95 39.76 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.573 0.702 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -172.43 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -152.04 143.09 15.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -173.24 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -134.37 138.09 29.42 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.711 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 137.05 34.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.53 163.67 23.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.6 t -173.39 141.03 0.89 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.53 0.681 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -173.47 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.78 136.74 3.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.32 116.66 21.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.03 -72.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 t -172.41 -175.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.912 HG23 ' HB1' ' A' ' 54' ' ' ALA . 3.2 p -50.58 -38.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.27 -34.91 75.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' ARG . 2.4 tp-100 -91.02 -69.62 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.599 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -34.09 -34.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 30' ' ' GLN . 7.2 ttp180 -34.96 -51.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -52.5 -49.28 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 15.4 tt0 -39.82 -40.44 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.73 -63.56 3.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.1 m-20 -56.17 -53.9 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -42.65 -42.92 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.3 mt -74.77 -32.2 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.797 ' CZ ' ' HB1' ' A' ' 73' ' ' ALA . 19.1 t80 -68.17 -52.51 33.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -4.22 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.8 t -103.96 -24.44 13.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.31 -33.34 4.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -59.34 93.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -80.14 -48.07 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.83 -37.4 35.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -81.52 -55.27 3.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . -36.13 -49.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' ALA . 2.7 tm? -54.74 -55.53 29.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -37.42 -57.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . . . -48.45 -55.05 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -50.05 -46.45 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.9 m -49.6 -53.23 25.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -56.37 -58.43 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.912 ' HB1' HG23 ' A' ' 28' ' ' VAL . . . -36.92 -54.54 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.09 -44.72 96.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.06 -42.78 23.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -73.89 148.38 42.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.13 81.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.699 ' HB2' HG11 ' A' ' 28' ' ' VAL . . . -98.17 167.98 10.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.2 p -52.81 156.24 3.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -94.53 -42.85 8.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.05 -43.81 91.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.833 ' HA ' HD12 ' A' ' 67' ' ' LEU . 31.4 mt-30 -47.76 -55.17 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.16 39.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.519 HG13 ' NH2' ' A' ' 69' ' ' ARG . 96.9 t -58.03 -39.68 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 64' ' ' GLN . 5.1 mt -70.02 -42.33 73.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -59.09 -48.42 81.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.519 ' NH2' HG13 ' A' ' 66' ' ' VAL . 48.3 ptt85 -63.61 -36.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -69.17 -45.1 70.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -49.44 -51.64 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . . . -41.4 -40.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.797 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -51.53 -58.22 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.4 m -45.32 -52.82 9.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -57.69 -54.94 41.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 73' ' ' ALA . 50.2 mt -40.37 -47.89 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -68.4 -39.67 81.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 mt -83.26 40.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.9 47.01 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.71 51.26 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.483 ' CD2' ' HG2' ' A' ' 111' ' ' LYS . 44.8 m-85 -63.11 -43.79 97.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.46 ' HA ' HD21 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -41.61 -61.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 84' ' ' ALA . 23.9 mtpt -61.27 -53.47 56.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 83' ' ' LYS . . . -34.66 -51.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -45.11 -47.44 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' LYS . 17.0 m -63.55 -59.67 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 8.8 mt-10 -42.89 -30.48 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.7 -48.06 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.2 t -62.24 -25.47 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -87.09 -35.44 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.6 69.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.86 -63.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 6.4 pt-20 -46.81 -31.61 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 14.1 mmtm -52.88 -59.18 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.36 -56.31 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.23 23.6 21.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.26 35.82 0.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -127.1 80.01 1.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.047 HG13 HD22 ' A' ' 128' ' ' LEU . 6.2 m -51.3 -37.45 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' VAL . 19.9 mmtp -35.99 -39.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.19 -54.03 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 99' ' ' VAL . 20.3 mt -42.73 -54.69 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -48.15 -43.14 31.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -70.48 -41.43 72.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -51.34 -50.02 60.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.7 p -45.38 -44.01 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -49.4 -45.15 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 -43.35 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.455 HD23 ' HD3' ' A' ' 114' ' ' ARG . 40.6 mt -52.39 -58.45 6.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -50.93 -44.88 60.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.483 ' HG2' ' CD2' ' A' ' 81' ' ' TYR . 10.0 tptt -59.41 -37.43 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 82' ' ' ASP . 7.7 mt -84.83 28.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 54.23 30.58 48.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.455 ' HD3' HD23 ' A' ' 109' ' ' LEU . 73.2 mtp85 -106.47 41.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.5 mt -52.4 -38.16 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.23 -38.54 80.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.576 ' HA ' HD12 ' A' ' 120' ' ' LEU . 3.1 mp0 -78.06 -47.15 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.29 -39.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.752 HG13 HD21 ' A' ' 139' ' ' LEU . 79.6 t -64.56 -55.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 117' ' ' GLN . 6.4 mt -54.25 -44.27 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -49.18 78.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.402 ' HB2' HD12 ' A' ' 139' ' ' LEU . 93.9 mt -63.57 -43.97 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.547 ' CG ' HD11 ' A' ' 139' ' ' LEU . 24.2 mt-30 -42.6 -40.59 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 127' ' ' SER . 43.1 mtt-85 -59.88 -53.81 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.521 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 40.9 m -38.2 -59.2 0.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.9 t -48.06 -35.49 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 124' ' ' ARG . 2.4 t -57.35 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.047 HD22 HG13 ' A' ' 99' ' ' VAL . 1.9 mp -55.46 -46.33 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -119.25 99.86 50.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.74 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -24.65 29.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.395 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -88.16 -46.5 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.579 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 3.7 m120 -36.39 117.3 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 136' ' ' GLN . 12.5 ttpt -87.47 -45.07 10.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 133' ' ' LYS . 77.0 t -35.48 -33.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 132' ' ' ASN . 27.0 m-85 -73.16 -47.46 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 133' ' ' LYS . 64.9 mt-30 -57.37 -50.96 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 6.3 pt-20 -57.51 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 137' ' ' GLU . . . -63.9 -58.88 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.752 HD21 HG13 ' A' ' 119' ' ' VAL . 1.0 OUTLIER -63.94 -39.36 93.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -66.52 -29.01 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 137' ' ' GLU . 56.8 m-20 -69.45 -50.99 40.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 143' ' ' SER . 49.1 pt -75.25 -37.56 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.478 ' N ' HG13 ' A' ' 142' ' ' ILE . 6.2 t -69.69 -41.01 75.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -97.17 177.09 32.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 142.76 48.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 147' ' ' SER . 29.1 t -112.12 -62.83 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 146' ' ' SER . 67.5 m -37.25 -49.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.973 . . . . . . . . 0 0 . 1 stop_ save_