data_2dm7_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 2dm7 _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 ' 9' ' ' ALA . . . . . 0.468 ' HB2' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.781 0.324 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -121.16 142.72 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 64.1 m-85 -56.94 145.41 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.0 p -117.85 -34.75 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' ASP . 12.0 mm100 -119.73 106.81 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.8 p-10 -36.2 124.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 88' ' ' ALA . 8.8 tp -55.27 136.39 48.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 17' ' ' THR . 15.0 tptt -125.9 159.18 33.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 2.4 t -131.01 176.12 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -123.54 166.42 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 8.8 pt-20 -108.85 110.68 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.19 168.13 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.9 p -92.75 157.64 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.25 143.67 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.87 -28.25 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -175.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.8 m -122.99 121.13 35.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.55 164.26 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.8 m -148.63 108.67 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.76 140.4 37.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -123.71 142.23 51.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 p -152.15 144.45 24.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 9.5 tt0 -103.59 168.72 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.1 mt -144.47 161.78 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -67.56 -31.07 70.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.45 165.97 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -59.68 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -148.15 145.62 21.21 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.4 m -107.9 -176.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -153.05 110.45 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.569 ' CZ3' HD22 ' A' ' 64' ' ' LEU . 61.4 m95 -70.58 149.17 47.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HB2' ' CE ' ' A' ' 80' ' ' MET . 20.0 mttp -143.76 146.53 33.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.541 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 29.3 tttm -116.45 34.83 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.02 -146.12 17.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 3.29 2.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.86 162.58 18.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 m -104.18 151.2 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.1 mt -117.05 175.86 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 12.4 mtm105 -158.48 157.57 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -122.95 117.72 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.503 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -122.56 106.78 11.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -103.85 141.99 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -115.74 105.31 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.67 79.76 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 -100.57 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.7 p -104.66 16.07 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -131.04 150.78 51.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.6 m -131.7 126.51 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -111.82 108.7 18.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.569 HD22 ' CZ3' ' A' ' 40' ' ' TRP . 12.6 tp -92.27 145.88 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -137.14 142.53 42.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mt -127.66 92.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.71 146.53 54.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 61.72 52.66 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.42 171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 m -167.23 159.18 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -24.13 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.02 -15.33 56.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.21 -28.15 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.55 103.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.12 -121.77 1.08 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -139.54 110.62 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.541 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.2 m-85 -97.8 116.93 31.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.4 ' C ' ' HE1' ' A' ' 80' ' ' MET . 9.6 m -106.94 147.35 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.1 t -125.27 120.2 30.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.18 124.01 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 39.6 t -132.11 103.12 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.55 -94.23 0.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.62 -33.45 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -76.96 167.2 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -156.78 149.52 23.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.4 t -145.91 163.22 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 154.95 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.404 ' CB ' ' HG ' ' A' ' 15' ' ' LEU . . . -146.16 124.35 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.9 m -73.87 116.2 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' A' ' 92' ' ' VAL . 4.6 tp -79.1 141.51 37.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.436 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 24.3 m -104.77 120.25 40.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.402 ' CG2' HD21 ' A' ' 90' ' ' LEU . 90.4 t -121.72 115.7 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -85.13 125.53 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.55 140.18 46.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.75 171.5 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 88.1 m-85 -90.44 140.26 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 p -111.2 -14.28 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -144.77 113.6 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -41.06 129.23 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' ASP . 2.5 tt -35.45 143.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 17' ' ' THR . 3.5 tmmm? -114.35 142.97 45.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 10.0 t -136.23 167.25 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -131.97 159.24 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -99.2 112.05 24.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.54 165.02 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -94.45 170.96 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.21 137.6 56.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.29 -20.75 24.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -175.9 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -121.96 113.92 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.7 131.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.5 m -119.86 117.12 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mp -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -138.53 143.28 39.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.8 p -142.79 143.27 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.38 160.09 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.8 mt -141.59 158.65 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -66.93 -28.53 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -165.77 166.68 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.89 114.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.94 148.23 19.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.74 33.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.1 m -124.89 -176.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -154.66 112.89 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.467 ' CD1' HD12 ' A' ' 55' ' ' LEU . 69.2 m95 -75.35 138.11 41.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -133.11 144.79 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.469 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 23.8 tttt -113.38 20.06 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.32 -144.3 13.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 4.06 2.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.72 177.23 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -121.53 152.42 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.1 mt -119.13 -177.0 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -151.72 -176.92 5.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.921 0.391 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -125.11 117.75 24.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.3 147.52 51.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -134.78 143.93 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.57 115.42 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -113.86 93.16 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.14 -105.97 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -109.41 22.64 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -139.04 129.25 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.2 157.73 17.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -142.71 114.89 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 44.1 tp -100.73 137.57 38.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -127.41 116.44 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.2 mt -104.19 93.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -71.69 152.1 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 63.47 53.31 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.68 156.92 10.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 73' ' ' ASP . 2.0 m -157.14 138.1 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.9 m -40.7 -33.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.64 95.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' SER . 4.6 m-20 -63.49 -13.87 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.86 104.03 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.93 -114.93 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 137.52 34.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.469 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 43.7 m-85 -123.91 121.92 36.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 m -111.29 145.7 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -123.88 118.32 26.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -94.45 125.83 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 19.7 t -130.56 95.41 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.25 -83.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -129.58 -39.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 178.19 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -164.05 147.16 9.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.405 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 11.2 t -137.22 146.26 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -118.57 151.43 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -150.93 109.83 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.9 m -73.14 120.38 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 91' ' ' THR . 13.0 tp -87.31 153.66 21.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.456 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 19.5 m -118.42 126.23 51.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.7 t -117.88 131.66 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -102.39 131.07 49.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.34 141.08 45.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -123.17 138.83 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.505 ' CD1' HD21 ' A' ' 32' ' ' LEU . 56.5 m-85 -59.7 135.67 57.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 p -111.99 -26.68 8.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -124.63 109.28 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.66 136.23 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tt -47.59 134.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -106.63 152.49 23.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 t -146.38 169.47 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.39 164.3 28.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 mt-10 -104.34 120.59 41.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.85 168.33 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.4 p -92.75 167.02 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' CD ' HG12 ' A' ' 71' ' ' VAL . 16.9 mt-10 -58.32 130.99 49.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.25 -17.62 58.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 m -123.84 118.53 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' N ' HD12 ' A' ' 69' ' ' LEU . . . -75.05 175.07 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.8 m -151.15 105.34 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mp -106.28 127.95 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.27 143.17 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.1 p -150.9 139.58 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -101.08 162.08 13.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD21 ' CD1' ' A' ' 11' ' ' PHE . 18.0 mt -136.23 164.17 28.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.0 p -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -172.8 167.75 5.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 t -59.72 106.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.81 146.1 25.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.071 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.55 25.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 81' ' ' CYS . 30.5 m -123.69 176.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -146.78 117.55 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 60.8 m95 -79.16 137.86 37.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -132.58 142.23 49.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.549 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 43.2 tttm -111.42 20.63 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.11 -144.05 12.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 4.42 2.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -117.27 166.35 12.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -114.73 137.22 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mt -103.62 -179.4 3.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -149.38 -179.07 6.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -117.12 128.2 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.73 148.87 45.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -123.67 155.71 37.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -126.73 107.68 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.32 85.47 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.92 -102.94 0.83 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.4 p -104.46 7.2 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -117.84 156.86 27.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.5 m -144.14 139.84 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.54 115.95 23.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.616 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 49.3 tp -100.02 117.22 33.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.92 126.83 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.481 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 42.6 mt -103.6 103.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -77.96 140.64 39.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 68.22 47.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 26' ' ' ALA . 13.6 mt -49.84 167.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -165.36 152.6 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.41 HG12 ' CD ' ' A' ' 22' ' ' GLU . 5.7 m -52.3 -30.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.45 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.75 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.38 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.23 -120.28 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.8 118.93 12.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.549 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 52.5 m-85 -104.82 118.69 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -104.95 143.28 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -122.03 116.4 24.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.5 mtt -94.5 122.42 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.414 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 37.5 t -128.56 94.24 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.33 -79.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -132.44 -42.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.53 171.01 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.6 ttm105 -154.77 154.18 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.9 t -148.85 138.21 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 m -117.87 151.14 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.89 119.05 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 m -76.35 112.53 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.6 tp -92.27 146.51 23.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 m -117.48 125.53 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.3 t -116.49 115.06 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -81.33 117.04 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.55 135.78 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -119.52 147.8 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD1' HD21 ' A' ' 32' ' ' LEU . 45.5 m-85 -64.86 143.33 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -115.14 -28.6 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -127.04 106.45 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.85 125.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD13 ' CZ3' ' A' ' 40' ' ' TRP . 7.7 tt -60.07 144.66 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -137.39 169.74 17.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.472 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 8.0 t -137.38 179.77 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -125.25 168.37 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 17.2 pm0 -106.9 133.82 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.68 168.16 20.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -97.01 152.85 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -39.63 132.4 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.73 -36.28 3.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.74 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 m -130.9 122.79 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' CB ' HD11 ' A' ' 90' ' ' LEU . . . -81.19 172.03 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.2 m -153.22 105.04 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' A' ' 17' ' ' THR . 4.3 mp -98.57 145.34 26.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -129.98 145.19 51.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.2 p -151.19 143.18 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -106.38 155.04 19.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 11' ' ' PHE . 82.2 mt -130.35 154.93 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -62.35 -32.36 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -162.48 156.67 21.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.419 ' N ' HG22 ' A' ' 60' ' ' THR . 62.3 t -51.96 111.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.73 152.14 31.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 131.56 21.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' CG1' ' HB2' ' A' ' 81' ' ' CYS . 20.1 m -125.28 172.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -145.02 116.39 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CD1' HD21 ' A' ' 55' ' ' LEU . 56.5 m95 -78.22 146.4 34.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -135.89 147.7 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 55.0 tttt -112.57 17.99 18.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.29 -142.99 11.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -120.35 176.89 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 m -111.23 140.1 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 mt -98.02 177.08 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -153.96 163.49 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 6.7 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.95 120.69 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -130.15 103.18 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -101.2 158.53 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -125.0 102.82 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.28 87.34 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.57 -98.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 35' ' ' VAL . 22.6 p -110.67 13.53 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -123.61 164.61 18.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.2 m -142.86 125.01 15.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -110.77 116.44 31.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.45 HD23 ' CE3' ' A' ' 40' ' ' TRP . 12.2 tp -100.88 139.53 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -129.22 139.44 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.452 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 24.8 mt -121.83 100.13 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -79.8 140.07 36.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 73.11 49.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.6 mt -52.44 153.36 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 73' ' ' ASP . 2.4 m -154.52 139.51 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 m -39.4 -33.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.96 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.6 OUTLIER -54.66 -41.17 69.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.453 ' CB ' ' CG2' ' A' ' 92' ' ' VAL . . . -46.18 100.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.16 -128.46 1.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.01 110.86 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.452 ' CZ ' HD13 ' A' ' 66' ' ' ILE . 58.7 m-85 -97.43 120.23 37.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -114.05 141.5 47.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.0 t -122.15 120.63 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.0 mtt -95.82 129.6 43.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 37.4 t -133.14 95.05 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.15 -87.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -125.55 -40.06 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.22 170.98 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -156.33 141.15 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 163.82 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.7 p -146.77 156.31 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.38 126.17 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 83.6 m -84.6 114.1 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 26' ' ' ALA . 4.0 tp -82.47 144.49 30.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.5 m -104.53 127.32 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.453 ' CG2' ' CB ' ' A' ' 74' ' ' ALA . 38.4 t -123.98 127.84 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -104.26 122.39 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 151.38 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.919 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HB2' ' CG ' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.773 0.321 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -115.24 137.33 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.488 ' CD1' HD23 ' A' ' 32' ' ' LEU . 68.2 m-85 -53.62 138.87 33.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 p -113.8 -26.73 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -128.39 113.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -38.64 147.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.445 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 1.9 tt -71.8 133.3 45.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -118.74 170.59 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.456 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 8.7 t -154.16 -179.29 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -126.58 171.84 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 7.8 pt-20 -111.03 115.51 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.02 166.78 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.1 t -92.12 161.13 14.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' CD ' HG11 ' A' ' 71' ' ' VAL . 16.0 mt-10 -49.04 131.91 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.24 -26.97 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -175.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 m -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -85.21 173.43 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -153.06 110.61 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp -110.29 119.22 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -117.72 138.75 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.55 -179.67 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -128.91 165.12 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' A' ' 11' ' ' PHE . 30.2 mt -144.41 154.82 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -61.81 -29.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -163.18 153.57 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.1 t -54.05 114.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.51 152.95 28.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.68 17.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.8 m -128.66 170.14 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.88 132.87 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.529 ' CE3' HD22 ' A' ' 64' ' ' LEU . 30.3 m95 -88.8 145.16 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -137.49 147.35 45.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -113.38 17.38 18.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.76 -143.52 11.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.39 172.91 7.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -115.67 138.86 50.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.28 177.04 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -150.66 168.85 23.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -118.81 117.91 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD11 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.1 144.81 51.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -131.84 144.24 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 18.1 tp60 -93.95 154.67 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 11.3 m-20 -155.7 165.0 37.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.13 106.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.6 p 47.11 30.05 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -146.09 142.42 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.5 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.41 127.42 53.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.529 HD22 ' CE3' ' A' ' 40' ' ' TRP . 9.1 tp -117.29 123.63 47.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -114.04 135.59 53.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 mt -115.01 97.69 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -73.72 155.37 39.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 52.34 47.85 23.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 26' ' ' ALA . 12.3 mt -47.38 171.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -168.27 143.85 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.414 HG11 ' CD ' ' A' ' 22' ' ' GLU . 6.9 m -49.54 -34.01 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -28.3 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.14 -31.24 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.78 106.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.67 -122.67 0.79 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.523 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -135.63 110.17 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.42 119.05 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.417 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 6.8 m -110.57 150.1 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.95 121.85 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 47.0 mtt -97.31 121.75 39.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.7 t -132.83 107.1 8.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.63 -91.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -127.31 -30.0 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.24 177.78 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 78' ' ' SER . 56.5 ttt-85 -166.69 137.88 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.7 t -132.21 163.33 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.9 p -142.44 146.47 34.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.84 125.92 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -82.43 114.47 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 91' ' ' THR . 6.2 tp -83.11 151.81 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 57.6 m -113.57 126.62 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -127.38 115.36 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.59 127.61 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.68 151.13 39.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.774 0.321 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -144.34 -179.25 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -98.45 134.03 42.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -111.36 -12.55 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 14' ' ' ASP . 7.8 mm100 -143.02 108.81 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.3 m-20 -35.72 124.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 30' ' ' CYS . 6.3 tp -48.3 128.24 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -104.89 146.63 28.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 4.4 t -128.08 173.93 9.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -130.71 154.14 48.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.455 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.7 pt-20 -99.23 127.35 45.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.05 167.57 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -94.91 170.78 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.14 136.15 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.69 -23.9 9.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -177.55 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -120.16 133.61 55.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.95 179.46 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 m -159.66 109.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 mp -111.99 133.69 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -123.18 140.51 52.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 9.8 p -144.98 137.23 25.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -91.62 172.65 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.423 HD13 ' CG1' ' A' ' 38' ' ' VAL . 61.5 mt -153.15 150.47 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -63.8 -28.77 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -160.54 151.5 18.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.0 t -55.35 112.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.95 152.13 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.38 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.423 ' CG1' HD13 ' A' ' 32' ' ' LEU . 5.6 m -108.28 158.85 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -125.36 131.95 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 m95 -91.4 144.36 25.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HB2' ' CE ' ' A' ' 80' ' ' MET . 23.1 mttp -136.35 146.37 46.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.529 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 26.0 tttt -111.69 19.47 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.18 -142.86 11.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -121.39 170.3 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.27 139.52 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -100.86 -177.03 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -156.83 155.23 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.362 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -104.36 109.11 20.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.57 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -111.5 118.07 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -114.3 139.61 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 13.2 tp60 -99.68 150.12 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 3.0 m-20 -148.56 165.15 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.34 108.61 0.23 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.2 p 44.79 31.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.195 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -151.35 154.03 35.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.3 m -138.65 151.68 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -141.39 107.69 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.567 HD21 ' CZ3' ' A' ' 40' ' ' TRP . 21.9 tp -98.11 145.25 26.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -131.28 141.34 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 mt -121.21 89.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -65.52 152.33 44.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 52.83 54.99 9.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.06 171.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 t -167.81 164.4 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.93 -19.21 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.93 -24.54 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.92 -25.05 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -63.03 102.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.58 -121.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -138.12 108.75 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.529 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.7 m-85 -98.79 120.78 39.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -113.19 145.87 40.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 19.5 t -119.68 121.44 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -95.83 122.07 38.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.9 t -133.12 95.82 3.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.36 -103.81 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -118.14 -19.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.61 176.71 7.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.4 ttp180 -164.99 147.28 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.442 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 6.9 t -142.84 154.44 44.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.0 p -135.82 142.17 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.39 96.38 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.1 m -50.59 120.4 4.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 91' ' ' THR . 4.2 tp -87.97 148.95 24.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 94.1 m -111.22 130.51 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 59.1 t -127.63 125.28 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -97.08 127.22 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -77.27 123.58 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.763 0.316 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -122.59 137.62 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 69.6 m-85 -61.32 135.22 57.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.0 p -111.43 -16.37 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.5 105.71 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.31 127.63 2.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 8.0 tt -62.16 137.03 58.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -124.22 -179.6 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 5.6 t -147.0 -176.17 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -131.51 166.69 20.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.0 pt-20 -108.97 109.95 21.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -117.05 168.06 10.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.1 p -90.32 161.19 15.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -51.85 137.44 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 -4.54 83.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.39 -175.09 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.3 m -129.74 106.11 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.69 -175.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -165.65 109.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CD2' ' HB ' ' A' ' 17' ' ' THR . 4.8 mp -103.54 152.62 21.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -135.4 138.8 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 p -145.21 139.06 26.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -100.36 163.67 12.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 11' ' ' PHE . 24.6 mt -139.51 160.08 40.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -67.3 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' C ' HG21 ' A' ' 60' ' ' THR . 10.9 pttm -165.05 163.9 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.92 114.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.34 19.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.01 10.66 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.6 -178.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -155.73 117.92 4.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.571 ' CZ3' HD22 ' A' ' 64' ' ' LEU . 42.3 m95 -78.19 150.25 33.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -143.4 153.92 43.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 63.5 tttt -123.16 13.42 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 150.11 -141.35 8.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.2 Cg_endo -69.81 3.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -116.86 166.7 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m -110.3 140.02 44.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.56 HD22 ' CE2' ' A' ' 53' ' ' TYR . 6.8 mt -114.07 158.93 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 28.0 mmm180 -151.8 138.9 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.56 ' CE2' HD22 ' A' ' 47' ' ' LEU . 57.5 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.874 0.369 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -107.86 96.12 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 40' ' ' TRP . 0.8 OUTLIER -94.71 123.72 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -120.44 121.67 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.14 132.9 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.53 69.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 -107.76 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.418 HG21 ' C ' ' A' ' 34' ' ' LYS . 14.4 p -99.68 27.69 5.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.775 0.321 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -145.63 155.67 43.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.7 m -139.68 139.57 36.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -122.1 110.85 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 40' ' ' TRP . 3.9 tp -92.16 137.24 32.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -127.49 137.24 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.2 mt -124.0 94.74 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -71.59 154.1 41.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.55 54.37 5.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD1' ' HB1' ' A' ' 20' ' ' ALA . 12.7 mt -57.67 164.25 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -161.67 160.1 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 m -61.55 -31.61 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.067 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.51 -26.67 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.56 -19.38 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 92' ' ' VAL . . . -66.75 101.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.66 -132.7 2.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -133.14 112.4 11.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 35.6 m-85 -99.31 122.73 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -107.99 144.45 35.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.75 114.91 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.5 mtt -96.28 128.23 43.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 12.0 t -132.75 97.35 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.35 -84.98 0.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -122.78 -44.05 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.48 166.38 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 86' ' ' THR . 51.8 ttp180 -158.66 153.77 25.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 1.2 t -137.33 159.89 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -136.71 152.03 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.44 118.69 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.5 m -76.28 112.51 12.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.07 138.36 39.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -106.23 132.95 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 74' ' ' ALA . 21.2 t -128.1 114.14 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -84.41 109.55 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.96 138.35 57.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.938 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.782 0.325 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -112.77 147.66 36.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CD1' HD23 ' A' ' 32' ' ' LEU . 65.2 m-85 -70.35 142.26 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -114.97 -29.13 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ASP . 3.7 mm100 -125.42 109.54 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' GLN . 9.7 p-10 -37.39 146.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.77 143.04 52.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 16' ' ' LYS . 5.0 tmtt? -117.44 146.84 43.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -140.56 176.48 8.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -141.27 170.0 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -110.79 131.08 55.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -136.81 168.15 20.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.0 p -90.26 168.54 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' CD ' HG12 ' A' ' 71' ' ' VAL . 31.0 mt-10 -59.35 119.52 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.69 -22.47 33.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.42 -176.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.0 m -120.24 127.9 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 m -157.58 108.15 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mp -110.13 120.63 43.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.49 137.24 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.2 p -140.07 174.43 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -133.46 166.23 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.485 HD23 ' CD1' ' A' ' 11' ' ' PHE . 24.4 mt -145.65 154.37 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 t -60.23 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -168.48 155.29 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.3 t -50.51 109.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 150.42 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.45 40.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.5 m -137.39 171.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.23 116.89 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.602 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 42.4 m95 -74.19 147.16 42.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -143.77 152.05 40.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 37.9 tttm -121.14 21.41 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.12 -144.16 13.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.88 167.36 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.7 m -114.62 147.91 38.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 mt -114.19 -178.0 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -166.54 157.7 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.874 0.369 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -122.41 117.9 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.602 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -117.78 124.57 48.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -117.04 125.63 51.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -96.34 107.74 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -104.57 80.93 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.65 -97.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 76.8 p -111.51 27.02 10.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 111.119 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 61' ' ' ARG . 14.7 mtm105 -140.99 151.64 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.8 m -132.21 137.51 47.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.92 108.26 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD23 ' CE3' ' A' ' 40' ' ' TRP . 21.2 tp -98.59 131.9 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -120.98 120.69 36.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.7 mt -97.57 89.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -70.32 137.64 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.28 47.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 13.4 mt -47.94 164.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -162.57 145.62 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.406 HG12 ' CD ' ' A' ' 22' ' ' GLU . 4.8 m -50.23 -22.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.34 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -30.35 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 102.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.3 -121.54 0.75 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.56 112.85 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 90.7 m-85 -97.22 117.99 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -104.62 145.57 30.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.0 mtt -95.71 125.94 40.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 53.8 t -131.87 97.19 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.85 -87.69 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -121.06 -37.7 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.41 174.6 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -165.06 147.2 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.0 t -135.45 163.47 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -145.04 140.68 28.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.75 110.25 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.5 m -68.62 124.75 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 91' ' ' THR . 4.6 tp -94.09 149.63 21.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 30.9 m -116.92 121.93 42.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.9 t -117.12 127.46 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -93.47 138.81 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.61 141.49 32.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -109.9 160.43 16.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.551 ' CE2' HG23 ' A' ' 86' ' ' THR . 52.8 m-85 -77.72 141.52 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.3 p -113.98 -23.43 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASP . 23.8 mm-40 -134.72 108.18 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' GLN . 5.9 t0 -36.43 154.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 16' ' ' LYS . 1.8 tt -59.47 153.52 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -121.88 153.99 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -168.9 175.8 5.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -149.23 179.96 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.48 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 3.9 pt-20 -113.75 110.33 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -109.31 168.5 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.086 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -86.4 169.27 13.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.58 126.75 28.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.08 -19.19 55.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -174.81 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 m -127.0 119.12 25.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.82 -175.99 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.42 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 22.4 m -168.23 105.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mp -98.4 120.32 38.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.48 130.0 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.29 156.18 49.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -118.78 161.73 19.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 mt -138.82 163.9 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -76.78 -25.7 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -147.59 -178.88 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -93.59 98.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.34 60.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 114.29 3.65 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.1 m -106.65 176.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -146.78 132.11 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CE3' HD22 ' A' ' 64' ' ' LEU . 30.6 m95 -87.85 144.89 26.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -133.75 145.06 49.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -111.21 20.69 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.87 -143.4 12.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 3.77 2.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -118.96 174.65 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m -113.17 137.8 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.6 mt -99.52 173.86 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -150.59 164.75 35.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CB ' HD11 ' A' ' 55' ' ' LEU . 1.8 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -101.33 108.26 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 40' ' ' TRP . 2.2 mp -110.59 133.32 53.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -133.06 131.09 40.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -102.51 108.56 19.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -97.73 72.54 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.33 -91.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -113.18 31.72 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -151.03 153.82 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.5 m -131.42 145.07 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -129.51 108.83 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD22 ' CE3' ' A' ' 40' ' ' TRP . 28.3 tp -100.66 121.57 41.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -109.91 90.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -69.41 146.23 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.53 53.28 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.0 mt -52.22 158.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 p -159.18 160.67 35.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -26.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.91 56.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.65 -29.24 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.08 101.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.49 -122.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -139.74 112.75 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -100.02 128.16 46.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.57 148.03 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 t -126.09 113.83 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.6 mtt -95.69 124.89 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 14.9 t -130.7 96.8 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.42 -87.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -125.63 -29.26 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.927 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -86.18 165.6 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -159.16 143.43 15.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.551 HG23 ' CE2' ' A' ' 11' ' ' PHE . 6.8 t -128.63 151.36 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.4 p -123.9 148.04 47.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.407 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -141.43 105.06 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.6 m -69.87 114.39 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 tp -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -111.94 142.34 44.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.2 t -129.22 119.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -85.29 119.71 25.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -76.37 129.09 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB3' ' CG ' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.81 0.338 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -136.22 138.45 41.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.479 ' CD1' HD23 ' A' ' 32' ' ' LEU . 68.9 m-85 -58.05 141.34 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -117.98 -21.59 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -134.68 123.25 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.44 144.53 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 2.7 tt -64.74 136.24 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -111.32 171.03 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.42 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 11.5 t -160.16 174.33 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -129.95 169.73 14.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 45.7 tt0 -111.53 109.98 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.07 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 t -94.53 164.5 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -47.44 139.47 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.34 -17.71 12.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.31 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.7 m -121.93 120.48 34.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.33 178.09 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -157.36 108.17 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.3 134.84 52.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -122.47 145.49 48.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 p -144.13 134.24 24.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.87 157.47 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 11' ' ' PHE . 71.0 mt -138.84 147.01 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -55.7 -28.06 53.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.442 ' CG ' ' HB3' ' A' ' 9' ' ' ALA . 11.0 pttt -162.3 159.32 25.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 60' ' ' THR . 50.0 t -59.97 112.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.46 147.0 19.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.0 10.66 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.77 177.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -140.58 136.5 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.501 ' CD1' HD13 ' A' ' 55' ' ' LEU . 56.6 m95 -95.29 141.12 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -129.98 147.47 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 41.6 tttm -114.13 15.97 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.7 -143.16 10.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 4.16 2.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -120.23 178.14 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.7 m -118.09 139.45 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.25 -175.98 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.5 mtm-85 -155.8 167.16 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 49' ' ' ASP . 1.9 p-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.383 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -113.98 117.13 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.501 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -128.84 124.17 34.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -113.38 131.13 56.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -92.34 149.58 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -147.87 176.29 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.61 104.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 35' ' ' VAL . 22.5 p 41.25 32.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -152.48 118.35 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.52 155.18 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -137.27 122.48 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 55' ' ' LEU . 38.2 tp -106.86 129.61 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -126.6 124.55 40.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.0 mt -105.72 108.6 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.47 145.3 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t0 59.37 52.65 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -48.8 177.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -170.63 154.32 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -16.96 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.91 -33.06 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.36 -24.99 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.0 102.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.5 -119.85 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -139.38 110.98 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.95 123.32 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.7 m -117.09 145.1 43.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.5 t -122.46 116.3 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -94.52 128.83 41.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 t -132.89 94.24 3.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.35 -85.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.52 -43.95 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -61.93 170.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -163.53 136.06 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.8 t -130.0 162.03 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.2 p -139.03 149.81 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.95 123.44 14.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 m -83.46 108.83 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -84.43 144.65 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.2 m -112.76 132.01 55.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.17 135.32 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -108.4 138.8 44.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.32 134.99 34.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.735 0.303 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HG2' ' CB ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -134.62 -177.51 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.473 ' CD2' HD22 ' A' ' 32' ' ' LEU . 85.6 m-85 -104.97 139.37 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.0 p -113.62 -21.8 10.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -129.76 109.86 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.79 134.52 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 tt -44.51 146.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 17' ' ' THR . 1.3 tmmm? -118.1 153.41 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.465 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 7.0 t -150.42 178.68 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' CE ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -146.64 157.99 43.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -96.47 126.4 41.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HB1' ' CE ' ' A' ' 18' ' ' LYS . . . -136.54 167.88 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.082 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -97.3 168.16 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -49.86 139.23 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.27 -26.91 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.68 -179.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 m -124.95 121.39 34.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -87.25 134.48 33.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.1 m -118.45 119.43 34.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mp -116.66 137.41 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -127.23 139.09 53.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -143.53 140.24 30.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -98.55 162.49 13.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD22 ' CD2' ' A' ' 11' ' ' PHE . 39.7 mt -136.52 159.38 41.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.413 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 5.3 t -65.95 -27.78 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -164.76 158.72 17.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.8 t -55.18 113.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 154.53 31.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 142.94 49.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 178.08 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -158.4 110.87 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.523 ' CD1' HD13 ' A' ' 55' ' ' LEU . 47.6 m95 -70.99 144.59 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 18.9 mttp -138.42 148.02 43.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -120.11 33.77 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.75 -145.72 17.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.11 2.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -116.39 172.47 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 m -118.82 141.82 48.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 41' ' ' LYS . 5.1 mp -110.45 171.16 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -147.89 -176.73 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.411 ' CE2' ' CD2' ' A' ' 47' ' ' LEU . 4.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -141.12 117.37 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.74 146.54 51.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -130.85 144.9 51.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -105.82 130.57 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.94 93.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.89 -100.38 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -109.51 34.45 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -143.36 149.25 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -135.24 120.09 18.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -107.15 123.48 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD22 ' CE3' ' A' ' 40' ' ' TRP . 29.6 tp -111.3 117.76 34.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -116.5 111.28 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.3 mt -97.13 105.96 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -81.73 142.22 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t0 72.08 54.71 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 26' ' ' ALA . 15.2 mt -57.98 166.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -160.75 150.74 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.6 m -57.19 -20.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.47 -25.22 33.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.33 -27.61 59.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' CB ' HG22 ' A' ' 92' ' ' VAL . . . -58.19 103.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.15 -123.89 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -132.73 112.57 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.555 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 83.8 m-85 -97.71 116.17 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.39 140.51 45.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.3 t -119.39 122.23 41.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.9 mtt -97.99 129.07 44.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 t -132.58 96.57 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.81 -81.51 0.64 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.31 -44.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.98 173.55 4.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -162.62 143.8 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.3 t -132.61 147.84 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.9 p -127.15 146.35 50.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.67 108.18 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.6 m -68.32 123.6 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 tp -101.87 144.79 30.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.3 m -109.02 140.05 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.429 HG22 ' CB ' ' A' ' 74' ' ' ALA . 99.1 t -129.82 135.02 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.17 125.23 50.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.51 148.14 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.92 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.798 0.332 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.469 ' CD ' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -139.58 174.97 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 67.1 m-85 -93.95 137.52 33.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.6 p -112.8 -20.21 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 9.6 mm100 -134.28 110.82 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.72 122.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 6.2 tp -58.99 138.96 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -124.57 -179.44 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.471 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 3.4 t -145.35 179.37 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -130.55 161.46 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -103.1 136.26 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -145.16 167.09 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 t -91.26 163.13 14.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -50.18 143.09 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.86 -11.01 16.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.0 -179.1 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.7 m -121.17 119.93 33.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 69' ' ' LEU . . . -74.18 168.51 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -155.69 105.93 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB ' ' A' ' 17' ' ' THR . 5.0 mp -104.33 148.68 26.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -131.33 141.24 49.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.8 p -148.35 152.08 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 10.3 tt0 -109.1 169.99 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.6 mt -150.46 153.66 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.469 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 16.0 t -62.93 -29.62 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -162.17 158.92 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.6 t -59.66 114.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -151.99 151.37 27.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.719 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 123.35 10.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.223 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -121.9 167.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -138.9 133.9 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 28.9 m95 -91.07 147.67 22.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.02 149.98 49.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 44.3 tttm -118.79 11.81 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 151.43 -141.4 8.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.6 Cg_endo -69.75 2.79 3.21 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -115.37 171.82 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -114.03 143.58 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 42' ' ' LYS . 8.7 mt -114.93 150.67 35.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -150.03 148.63 29.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.363 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -120.69 116.04 24.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.57 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -125.84 109.47 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -104.81 134.38 48.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 15.5 tp60 -90.32 152.0 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 4.9 t70 -152.34 162.48 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.34 105.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 p 48.82 30.92 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.11 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -152.03 145.23 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -138.93 141.81 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -127.56 114.52 17.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.555 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 12.7 tp -99.35 141.83 31.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -133.71 137.43 45.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.7 mt -115.99 96.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -71.01 134.46 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t0 74.71 53.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD1' ' HB1' ' A' ' 20' ' ' ALA . 17.6 mt -55.58 163.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -168.28 152.07 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -27.6 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.06 -32.01 56.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.14 -26.02 67.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' CB ' HG22 ' A' ' 92' ' ' VAL . . . -66.14 103.38 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.26 -130.14 1.46 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.443 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -131.27 107.85 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.436 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 87.6 m-85 -97.08 116.41 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.27 136.37 49.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -117.04 116.23 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.5 mtt -94.55 125.81 39.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -130.67 95.97 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.13 -97.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -115.93 -31.91 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.18 169.79 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 12.8 ttp-105 -160.39 150.13 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 15' ' ' LEU . 8.9 t -145.8 158.34 43.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.4 p -139.62 152.77 47.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.05 111.55 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.4 m -67.56 114.72 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 91' ' ' THR . 7.2 tp -79.44 152.74 30.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 88.7 m -115.69 126.98 54.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.403 HG22 ' CB ' ' A' ' 74' ' ' ALA . 60.7 t -122.12 112.88 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mmp_? -90.06 122.96 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.61 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.491 ' N ' ' HZ2' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -113.28 137.04 52.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.527 ' CD1' HD21 ' A' ' 32' ' ' LEU . 87.1 m-85 -60.55 143.47 53.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.1 p -115.45 -28.73 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -128.65 112.16 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.07 148.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.568 HD13 ' CZ3' ' A' ' 40' ' ' TRP . 1.8 tt -66.96 129.2 39.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.8 mmmm -110.45 167.38 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.481 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 3.2 t -148.13 178.56 8.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -127.93 170.25 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 6.9 pt-20 -110.24 109.98 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -117.75 165.18 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -92.89 157.91 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' CD ' HG11 ' A' ' 71' ' ' VAL . 25.3 mt-10 -48.0 132.23 15.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.42 6.0 86.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.84 179.7 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -117.5 118.22 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.65 168.35 18.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -150.61 114.26 4.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 17' ' ' THR . 5.1 mp -106.2 139.65 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -122.22 131.37 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.03 157.93 45.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -117.25 167.73 10.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 11' ' ' PHE . 47.1 mt -143.39 163.58 32.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -74.52 -22.51 59.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HZ2' ' N ' ' A' ' 9' ' ' ALA . 12.8 pttm -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.6 t -51.73 115.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -154.96 153.83 27.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.54 33.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.748 2.299 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 m -137.92 166.11 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -141.6 121.25 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.568 ' CZ3' HD13 ' A' ' 15' ' ' LEU . 26.1 m95 -79.48 149.76 31.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -140.04 149.69 43.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.562 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 24.0 tttt -120.84 17.62 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.27 -143.11 10.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.05 2.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.7 170.56 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -111.28 149.61 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 42' ' ' LYS . 7.3 mt -125.24 155.82 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -158.51 158.37 33.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' CB ' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.22 118.64 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD22 ' CD1' ' A' ' 40' ' ' TRP . 0.2 OUTLIER -119.72 108.5 14.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -101.18 143.03 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -112.44 108.31 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -106.46 84.09 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.33 -105.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 55.3 p -104.79 14.92 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -129.8 151.71 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.6 m -129.42 151.68 49.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -134.58 118.1 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.555 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.4 tp -103.34 139.49 38.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -128.03 127.92 44.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.16 96.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -73.95 152.69 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 56.48 50.94 12.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.7 mt -53.49 177.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 73' ' ' ASP . 1.8 m -174.33 138.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG11 ' CD ' ' A' ' 22' ' ' GLU . 3.8 m -43.51 -34.02 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.6 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' SER . 5.1 m-20 -60.6 -38.63 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.9 106.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.51 -125.92 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -136.26 114.08 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 85.1 m-85 -97.11 117.12 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -111.28 142.08 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.7 t -122.68 123.5 41.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -100.99 126.77 47.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.419 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 38.5 t -129.32 97.3 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.62 -84.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -125.25 -39.19 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 169.85 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -160.16 146.47 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 13.3 t -134.76 162.12 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.3 p -136.51 149.01 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.75 126.86 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.8 m -90.45 106.47 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.7 tp -74.5 148.05 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -111.09 128.97 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 50.8 t -127.15 119.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -96.85 125.52 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.35 146.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.32 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.451 ' HD3' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -129.41 176.57 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -93.66 138.19 32.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.2 p -113.43 -27.53 7.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.2 mm-40 -127.3 104.77 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.6 p30 -36.14 129.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.8 tt -44.96 150.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' N ' HD23 ' A' ' 15' ' ' LEU . 13.9 tptt -136.21 153.61 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 t -136.14 -174.96 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -132.69 -177.57 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' A' ' 93' ' ' ARG . 13.1 tt0 -120.31 109.79 15.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 24' ' ' ALA . . . -122.08 168.38 12.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -102.14 169.62 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -50.96 143.09 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.58 2.77 81.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . . . -85.15 -174.19 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 26' ' ' ALA . 7.7 m -124.66 99.22 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' HB1' ' CG1' ' A' ' 66' ' ' ILE . . . -40.74 162.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.4 m -164.8 109.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -122.17 134.44 54.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -118.49 135.0 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.3 p -134.52 178.87 6.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 5.9 tt0 -134.55 166.05 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.4 mt -147.51 154.13 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.451 ' CB ' ' HD3' ' A' ' 10' ' ' ARG . 35.9 t -66.31 -23.71 66.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -162.44 158.43 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.42 104.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.83 149.31 35.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 129.72 18.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.46 170.86 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -132.8 133.06 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CE3' HD21 ' A' ' 64' ' ' LEU . 45.2 m95 -94.56 149.5 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.6 mttt -138.29 147.12 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -112.17 15.68 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.81 -142.69 10.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.58 174.47 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -114.45 137.04 52.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' C ' ' HD3' ' A' ' 48' ' ' ARG . 83.8 mt -99.05 -178.03 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 2.1 mpp_? -157.11 167.8 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' CB ' HD12 ' A' ' 55' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -124.79 114.88 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.521 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 1.1 mp -116.65 103.49 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -97.53 118.22 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -89.53 153.42 20.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -157.85 177.8 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.45 103.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p 39.51 38.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -156.26 133.89 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.1 m -127.02 147.24 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -128.02 113.91 16.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD21 ' CE3' ' A' ' 40' ' ' TRP . 22.8 tp -96.66 127.5 42.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -122.17 130.4 53.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.468 ' CG1' ' HB1' ' A' ' 26' ' ' ALA . 6.6 mt -115.18 95.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -67.63 138.24 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 t70 74.92 52.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.97 163.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -171.5 155.64 4.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.77 -31.54 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.07 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.62 -13.4 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.99 100.3 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.63 -120.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.532 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.77 136.7 34.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -118.96 129.89 55.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LYS . 14.8 m -119.17 140.47 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.22 120.15 31.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -98.46 131.36 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.52 95.48 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.77 -87.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -123.25 -37.06 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.69 167.77 17.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -154.67 150.85 28.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.426 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 4.2 t -144.45 160.39 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.9 t -139.36 157.71 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.88 125.56 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.6 m -87.55 116.62 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 tp -84.32 145.42 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.3 m -113.18 122.7 48.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -119.55 134.17 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -103.39 125.65 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.0 138.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.794 0.331 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -124.92 141.69 51.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CD1' HD23 ' A' ' 32' ' ' LEU . 49.7 m-85 -58.84 139.18 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -113.94 -25.15 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -130.86 111.9 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.6 143.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tt -53.81 142.75 22.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 17' ' ' THR . 1.8 tmmm? -108.9 157.39 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.471 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 6.0 t -167.55 163.39 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HE3' ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -136.7 -174.99 3.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -118.57 109.86 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -112.05 168.95 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -90.35 169.81 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.28 143.08 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.4 -21.21 6.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -173.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.6 m -125.51 112.28 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' CB ' HD12 ' A' ' 66' ' ' ILE . . . -64.28 176.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.469 ' N ' ' HE3' ' A' ' 18' ' ' LYS . 55.3 m -168.01 107.69 0.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.02 124.0 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -116.09 126.71 54.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.0 p -128.89 159.41 35.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -114.29 168.76 9.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 11' ' ' PHE . 33.8 mt -147.62 156.28 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -61.82 -29.79 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -163.19 171.98 15.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.98 108.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.92 156.43 44.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.698 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 130.08 18.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.408 ' CG1' HD11 ' A' ' 32' ' ' LEU . 26.6 m -122.86 166.98 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -143.89 119.8 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.688 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 38.7 m95 -79.56 144.87 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -139.8 147.24 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -112.07 7.81 19.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 155.9 -141.77 8.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.1 Cg_endo -69.84 4.23 2.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.296 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -118.15 170.97 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -116.49 133.85 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.9 mt -100.35 172.22 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.35 164.49 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' CB ' HD12 ' A' ' 55' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.916 0.389 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -123.45 101.12 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.688 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -99.8 141.86 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -134.26 122.86 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -94.52 115.01 27.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.01 85.11 2.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.73 -103.25 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.4 p -108.34 22.76 15.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -137.7 158.28 44.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.9 m -138.22 137.6 37.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.71 119.9 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.573 HD23 ' CE3' ' A' ' 40' ' ' TRP . 16.0 tp -106.44 122.32 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -112.64 128.37 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.47 HD12 ' CB ' ' A' ' 26' ' ' ALA . 5.2 mt -111.4 89.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -62.91 148.01 48.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.86 44.53 4.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD1' ' HB1' ' A' ' 20' ' ' ALA . 11.2 mt -42.24 157.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.415 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -158.05 154.2 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 m -56.43 -22.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.06 61.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.98 -31.76 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.94 100.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.24 -122.31 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -139.18 109.89 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -99.7 119.11 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.25 139.34 41.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.7 t -120.66 116.02 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.2 mtt -95.47 127.83 41.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 19.9 t -133.0 96.09 3.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.23 -86.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -126.23 -41.51 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.83 173.47 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -163.63 141.11 7.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.1 t -133.61 157.14 46.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.41 150.92 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.65 119.33 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.3 m -74.45 115.36 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.3 tp -91.58 139.87 30.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.408 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 89.2 m -111.31 142.65 43.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.415 HG11 ' C ' ' A' ' 70' ' ' SER . 47.9 t -134.39 123.03 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -87.64 125.99 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.85 133.14 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.887 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -110.65 135.92 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CD1' HD21 ' A' ' 32' ' ' LEU . 62.4 m-85 -56.95 139.91 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.6 p -115.5 -35.36 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.6 mm-40 -116.27 108.78 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -37.26 139.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tt -67.54 134.03 50.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -121.16 173.34 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.475 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 6.9 t -151.18 175.58 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -126.62 163.97 22.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 20.0 pm0 -101.23 136.12 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -146.83 168.27 21.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.3 p -91.17 172.56 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -58.59 143.21 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.21 -29.57 3.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -174.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.2 m -130.79 122.97 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' N ' HD12 ' A' ' 69' ' ' LEU . . . -74.28 -179.38 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.9 m -161.86 105.14 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD2' ' HB ' ' A' ' 17' ' ' THR . 4.7 mp -101.97 145.63 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -136.12 132.23 35.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.31 167.78 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 13.1 tt0 -120.99 162.61 19.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 11' ' ' PHE . 14.4 mt -136.43 165.3 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 t -66.19 -32.2 73.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -164.47 148.17 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.0 t -42.97 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.97 152.11 24.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 128.5 16.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 32' ' ' LEU . 11.2 m -114.65 175.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.33 116.83 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CE3' HD23 ' A' ' 64' ' ' LEU . 20.4 m95 -80.95 154.13 27.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 78' ' ' SER . 21.1 mttt -144.81 142.63 30.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 30.2 tttm -113.75 24.42 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 140.32 -144.1 14.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.523 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 54.4 Cg_endo -69.74 4.52 2.14 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -114.89 171.42 7.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -116.45 148.1 41.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.666 ' CD2' ' CE2' ' A' ' 53' ' ' TYR . 9.6 mt -116.0 159.12 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.428 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 1.7 mmp_? -145.97 140.47 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.666 ' CE2' ' CD2' ' A' ' 47' ' ' LEU . 79.7 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.856 0.36 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -114.54 104.08 11.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt -95.02 150.92 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -134.05 128.36 34.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 27.3 tp60 -91.81 151.95 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 6.7 t70 -164.5 160.7 20.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.79 101.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.7 p 50.75 35.6 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.779 0.323 . . . . 0.0 111.164 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -153.09 148.33 26.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -137.1 147.77 46.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -131.39 110.69 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.545 HD23 ' CE3' ' A' ' 40' ' ' TRP . 6.5 tp -94.74 142.14 27.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -130.25 111.9 12.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.514 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 21.7 mt -94.14 95.28 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.23 141.09 41.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 73.46 48.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 13.5 mt -53.1 156.43 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.14 152.92 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.0 m -51.68 -30.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.8 -29.27 64.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -34.52 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.82 98.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.04 -119.54 0.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -139.11 111.33 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.532 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 79.3 m-85 -97.25 117.39 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.2 m -108.41 137.97 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -119.09 125.64 49.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.409 ' HE1' ' NZ ' ' A' ' 41' ' ' LYS . 27.9 mtt -101.61 129.24 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.7 t -133.19 100.9 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.96 -86.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -127.06 -40.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -67.18 177.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -166.2 147.94 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -139.84 163.53 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.7 m -134.34 149.72 50.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.31 133.99 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.1 m -97.65 111.4 23.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 91' ' ' THR . 7.5 tp -80.85 153.1 27.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 52.7 m -113.51 127.94 56.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.55 135.77 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -109.76 116.81 32.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 152.41 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.904 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.756 0.312 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.57 136.83 49.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CD1' HD22 ' A' ' 32' ' ' LEU . 54.2 m-85 -57.6 140.87 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 p -117.38 -31.54 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -128.42 121.79 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -42.79 152.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 16' ' ' LYS . 2.0 tt -73.72 128.96 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -112.03 164.12 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.463 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 4.4 t -148.03 177.92 8.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -127.98 163.11 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -98.41 109.98 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.02 168.05 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.4 m -103.12 168.03 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -50.72 136.87 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.11 -33.65 3.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 172.22 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 m -116.44 115.69 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 179.43 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.9 m -156.9 109.04 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mp -110.55 123.06 49.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -120.88 141.49 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.95 160.39 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.73 158.71 19.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 11' ' ' PHE . 36.0 mt -143.04 160.43 40.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 t -61.56 -34.19 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -159.49 141.6 13.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -46.11 112.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.453 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -146.14 155.38 50.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 119.88 6.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.4 m -119.46 170.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -132.97 132.34 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 75.5 m95 -91.28 145.15 24.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -137.15 148.84 46.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -122.26 34.46 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.44 -145.79 17.35 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.09 2.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -115.67 168.73 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -114.53 127.49 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 53' ' ' TYR . 35.6 mt -82.17 178.55 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 5.7 mmm180 -150.62 161.39 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE2' HD11 ' A' ' 47' ' ' LEU . 70.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.945 0.402 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -120.35 126.8 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.76 156.32 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.903 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -138.78 148.64 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -100.81 155.74 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -161.45 155.19 21.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -38.46 111.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.9 p 39.79 42.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 0.0 111.129 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -161.19 137.53 8.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.3 m -127.5 156.99 41.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -142.94 117.58 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 43.0 tp -111.29 119.94 40.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -117.46 118.46 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.482 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 7.6 mt -100.36 121.09 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -88.66 147.96 24.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.98 54.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.96 158.52 6.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 p -164.2 148.36 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 m -44.94 -31.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.34 91.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' CB ' HG23 ' A' ' 92' ' ' VAL . . . -55.94 101.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.54 -113.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.29 111.82 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.366 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.482 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 91.5 m-85 -97.08 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.469 ' HB2' ' CE ' ' A' ' 80' ' ' MET . 5.5 m -114.08 136.56 52.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.825 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 t -113.13 120.29 40.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 78' ' ' SER . 0.0 OUTLIER -95.63 129.34 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.3 t -133.0 94.69 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.92 -84.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -120.97 -42.17 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -70.77 158.86 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 86' ' ' THR . 26.7 ttp180 -153.53 154.89 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.421 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 14.0 t -142.92 163.53 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -135.7 150.34 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.71 135.93 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -95.73 110.16 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.9 tp -87.12 142.42 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.5 m -111.01 128.5 55.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.422 HG23 ' CB ' ' A' ' 74' ' ' ALA . 60.0 t -120.01 132.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -107.35 111.0 23.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.27 160.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.765 0.317 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -135.31 162.14 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.446 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 88.3 m-85 -82.51 136.35 34.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -113.62 -19.08 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ASP . 2.9 mt-30 -134.77 102.15 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -35.89 136.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.56 148.59 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -124.57 151.68 44.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.456 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 2.3 t -154.8 171.33 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HE2' ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -137.13 -177.34 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -115.61 109.83 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' CD1' ' A' ' 69' ' ' LEU . . . -107.01 168.29 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 p -93.62 163.9 13.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -55.13 131.69 45.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.7 -19.54 52.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.68 -174.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.371 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.1 m -123.97 114.52 19.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 178.04 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.464 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 89.1 m -165.84 105.14 0.69 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -113.36 117.94 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -115.08 136.04 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 p -134.6 169.15 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.75 157.84 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.5 mt -136.13 153.17 51.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -65.98 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -166.56 152.94 8.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -48.32 113.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -154.05 147.4 18.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.18 24.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.386 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.73 168.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -142.52 134.27 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.666 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 45.3 m95 -89.34 138.58 31.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -131.03 144.28 51.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -117.19 46.34 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.42 -148.3 17.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 4.18 2.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -117.26 171.67 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -118.85 130.13 55.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.414 ' C ' ' HD3' ' A' ' 48' ' ' ARG . 8.3 mt -90.0 174.41 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 1.4 mpp_? -149.28 144.61 26.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.4 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.92 0.391 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -116.82 120.6 39.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.666 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 1.9 mp -117.93 141.55 48.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -136.86 121.68 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -96.87 100.35 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.29 75.23 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.27 -98.99 1.04 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.3 p -105.78 9.45 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -125.34 148.8 48.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.3 m -129.54 135.47 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -121.54 124.34 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.9 tp -113.44 132.8 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -121.42 131.71 54.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.73 89.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -62.59 144.85 55.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.92 52.78 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.545 ' CD1' ' CB ' ' A' ' 20' ' ' ALA . 12.3 mt -50.0 145.64 5.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.1 m -145.57 150.73 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -23.33 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.49 60.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -21.19 61.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.5 101.55 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.66 -120.93 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -138.56 114.71 10.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -98.8 119.51 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.78 135.93 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.6 t -120.26 110.34 16.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.5 mtt -96.4 131.64 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 25.3 t -131.48 99.66 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 -84.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -125.39 -41.84 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -66.82 -179.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -166.0 150.47 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -142.0 163.06 33.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -137.65 151.62 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.22 107.75 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.2 m -67.28 121.97 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.0 tp -101.0 138.84 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -112.4 137.32 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.4 t -128.07 123.68 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -96.82 124.88 40.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.93 140.66 47.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.745 . . . . 0.0 110.918 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 36' ' ' ALA . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -119.09 135.55 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 86' ' ' THR . 76.1 m-85 -54.32 145.97 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -117.62 -29.67 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' ASP . 30.6 mm-40 -130.46 118.9 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' GLN . 8.3 p-10 -37.09 151.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 16' ' ' LYS . 3.6 tt -57.96 150.84 19.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HE3' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -118.22 117.04 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.488 ' N ' ' HE3' ' A' ' 16' ' ' LYS . 9.0 t -120.39 158.25 27.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -125.34 168.32 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.471 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.5 pt-20 -111.02 111.9 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.25 168.31 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.66 166.96 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.94 145.7 15.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.26 -39.0 2.25 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.46 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.9 m -118.06 131.32 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.463 ' N ' HD11 ' A' ' 69' ' ' LEU . . . -91.77 122.42 34.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 m -108.11 117.77 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 ' C ' ' CD ' ' A' ' 29' ' ' GLN . 4.8 mp -116.79 143.82 45.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.487 ' CD ' ' C ' ' A' ' 28' ' ' LEU . 2.2 mp0 -126.37 138.74 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -141.22 154.74 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -110.95 166.42 11.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 11' ' ' PHE . 29.9 mt -146.06 159.4 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -66.42 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -167.7 159.46 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -50.67 112.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -155.5 150.77 21.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.32 25.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -121.56 176.13 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -147.92 119.71 8.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CD1' HD12 ' A' ' 55' ' ' LEU . 45.9 m95 -83.09 141.34 32.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -134.21 144.2 48.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.454 ' N ' HD12 ' A' ' 47' ' ' LEU . 30.8 tttt -112.97 23.24 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.83 -144.41 14.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.9 2.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.27 167.99 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -113.62 140.22 48.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 42' ' ' LYS . 6.2 mt -110.15 170.43 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 47' ' ' LEU . 2.6 mpt_? -143.17 172.62 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.867 0.365 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -114.81 120.43 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.6 146.25 51.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -126.02 152.19 46.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -115.3 128.6 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -130.71 99.1 4.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.65 -105.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.9 p -108.44 31.97 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -146.88 119.46 8.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.0 m -113.06 139.25 48.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' CG ' ' OE1' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -120.59 147.84 44.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.497 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 19.3 tp -126.4 118.38 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -110.01 116.28 31.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 mt -101.3 105.49 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -80.39 152.19 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.02 51.4 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 26' ' ' ALA . 12.2 mt -56.01 163.09 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.6 p -164.7 141.45 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 m -44.05 -31.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.71 -36.33 80.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.43 104.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.9 -123.56 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.13 111.08 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.457 ' CE1' HD21 ' A' ' 90' ' ' LEU . 60.4 m-85 -97.41 116.33 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -104.52 156.09 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -133.06 118.5 18.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -96.21 127.56 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 47.4 t -132.25 96.02 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 -84.61 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -124.55 -43.58 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.65 177.73 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.9 ttp180 -164.07 156.62 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.568 HG21 ' CE2' ' A' ' 11' ' ' PHE . 8.9 t -133.87 162.21 32.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -142.4 138.45 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 15' ' ' LEU . . . -142.37 108.9 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.5 m -63.82 120.75 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.457 HD21 ' CE1' ' A' ' 77' ' ' TYR . 16.0 tp -88.98 141.45 28.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.3 m -111.69 127.17 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.8 t -122.34 124.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -92.55 118.33 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.77 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -115.79 160.5 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CD1' HD23 ' A' ' 32' ' ' LEU . 51.3 m-85 -81.45 141.01 34.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 p -115.08 -19.53 10.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -144.47 116.5 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -40.87 158.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.459 HD23 ' CB ' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -60.3 163.2 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 152.85 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 1.1 t -163.79 171.08 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.99 -179.86 5.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.476 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 30.5 tt0 -107.51 109.26 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HB1' ' CB ' ' A' ' 24' ' ' ALA . . . -117.4 168.87 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 m -102.68 168.6 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.97 140.42 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.8 -28.64 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . . . -59.03 -172.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.2 m -130.27 107.05 8.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . . . -60.65 124.36 20.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 4.4 mp -109.95 120.76 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -119.31 134.56 55.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 p -133.58 164.32 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -117.61 162.96 17.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 11' ' ' PHE . 92.7 mt -144.53 161.14 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -70.2 -20.2 63.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.31 158.75 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.417 ' N ' HG22 ' A' ' 60' ' ' THR . 21.0 t -61.95 95.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.23 151.88 72.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 139.28 40.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 ' CG1' HD11 ' A' ' 32' ' ' LEU . 5.3 m -124.98 167.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -130.7 113.89 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.54 ' CD1' HD23 ' A' ' 55' ' ' LEU . 56.9 m95 -77.66 145.07 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -139.82 150.02 44.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 44.2 tttp -119.55 15.4 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.18 -142.95 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 3.12 2.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.3 166.54 12.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.22 139.47 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -100.69 178.87 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -157.75 164.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.454 ' CB ' HD11 ' A' ' 55' ' ' LEU . 4.1 p-10 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -108.96 120.61 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.54 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -132.55 123.26 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 57' ' ' GLN . 20.3 ttpt -139.86 157.28 45.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.439 ' N ' ' HG2' ' A' ' 56' ' ' LYS . 6.4 tp60 -89.47 138.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -131.94 62.47 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.64 91.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 35' ' ' VAL . 63.0 p 50.2 25.73 1.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -150.35 116.72 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.7 m -99.56 134.26 42.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -124.05 112.17 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 14.6 tp -98.47 135.96 39.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -122.8 117.39 25.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.0 mt -102.09 87.15 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -63.45 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t0 73.81 52.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.0 mt -52.82 152.89 3.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -156.48 149.66 24.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -47.46 -36.81 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.72 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.15 -25.32 64.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.19 101.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.64 -121.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -138.17 109.42 6.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.538 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 66.0 m-85 -97.3 117.73 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -102.8 133.47 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 17.7 t -110.79 116.91 32.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -94.37 123.06 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 52.9 t -130.45 98.49 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.24 -94.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -119.9 -32.93 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 10' ' ' ARG . 26.7 mt-10 -78.42 172.52 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 19.8 ttp-105 -154.1 151.35 29.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.3 t -137.48 147.85 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.7 p -125.74 155.11 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.459 ' CB ' HD23 ' A' ' 15' ' ' LEU . . . -154.94 109.59 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.2 m -73.16 111.44 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -87.96 135.52 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.46 128.51 54.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.13 125.76 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -97.35 109.36 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.64 163.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.712 . . . . 0.0 110.948 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -113.5 115.85 28.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 m -132.13 -47.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.53 72.93 0.62 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -167.8 121.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -46.62 154.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.64 155.58 9.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 157.59 59.92 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' HB2' ' CB ' ' A' ' 36' ' ' ALA . . . -90.41 134.62 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -121.16 142.72 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 64.1 m-85 -56.94 145.41 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.0 p -117.85 -34.75 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' ASP . 12.0 mm100 -119.73 106.81 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.8 p-10 -36.2 124.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 88' ' ' ALA . 8.8 tp -55.27 136.39 48.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 17' ' ' THR . 15.0 tptt -125.9 159.18 33.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 2.4 t -131.01 176.12 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -123.54 166.42 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 8.8 pt-20 -108.85 110.68 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.19 168.13 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.9 p -92.75 157.64 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.25 143.67 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.87 -28.25 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -175.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.8 m -122.99 121.13 35.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.55 164.26 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.8 m -148.63 108.67 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.76 140.4 37.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -123.71 142.23 51.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 p -152.15 144.45 24.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 9.5 tt0 -103.59 168.72 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.1 mt -144.47 161.78 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -67.56 -31.07 70.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.45 165.97 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -59.68 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -148.15 145.62 21.21 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.4 m -107.9 -176.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -153.05 110.45 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.569 ' CZ3' HD22 ' A' ' 64' ' ' LEU . 61.4 m95 -70.58 149.17 47.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HB2' ' CE ' ' A' ' 80' ' ' MET . 20.0 mttp -143.76 146.53 33.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.541 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 29.3 tttm -116.45 34.83 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.02 -146.12 17.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 3.29 2.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.86 162.58 18.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 m -104.18 151.2 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.1 mt -117.05 175.86 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 12.4 mtm105 -158.48 157.57 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.75 134.84 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.93 135.98 4.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.11 -100.64 2.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 34.2 mtm180 -121.3 39.45 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 92.9 m-85 -157.54 131.49 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -122.95 117.72 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.503 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -122.56 106.78 11.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -103.85 141.99 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -115.74 105.31 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.67 79.76 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 -100.57 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.7 p -104.66 16.07 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -131.04 150.78 51.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.6 m -131.7 126.51 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -111.82 108.7 18.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.569 HD22 ' CZ3' ' A' ' 40' ' ' TRP . 12.6 tp -92.27 145.88 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -137.14 142.53 42.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mt -127.66 92.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.71 146.53 54.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 61.72 52.66 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.42 171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 m -167.23 159.18 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -24.13 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.02 -15.33 56.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.21 -28.15 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.55 103.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.12 -121.77 1.08 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -139.54 110.62 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.541 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.2 m-85 -97.8 116.93 31.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.4 ' C ' ' HE1' ' A' ' 80' ' ' MET . 9.6 m -106.94 147.35 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.1 t -125.27 120.2 30.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.18 124.01 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 39.6 t -132.11 103.12 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.55 -94.23 0.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.62 -33.45 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -76.96 167.2 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -156.78 149.52 23.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.4 t -145.91 163.22 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 154.95 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.404 ' CB ' ' HG ' ' A' ' 15' ' ' LEU . . . -146.16 124.35 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 78.9 m -73.87 116.2 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' A' ' 92' ' ' VAL . 4.6 tp -79.1 141.51 37.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.436 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 24.3 m -104.77 120.25 40.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.402 ' CG2' HD21 ' A' ' 90' ' ' LEU . 90.4 t -121.72 115.7 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -85.13 125.53 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.55 140.18 46.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mt -54.12 152.41 11.03 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 124.99 11.63 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -40.81 -60.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -123.74 164.38 19.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' THR . 20.4 m-85 -97.86 107.57 20.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 99' ' ' PHE . 13.9 t -37.06 137.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.0 -42.33 33.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.88 -156.42 19.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.9 m -147.62 161.95 40.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -106.25 146.05 16.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 126.05 12.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 m -60.58 168.44 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.6 p -116.7 163.24 16.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.489 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m 48.06 42.23 16.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.399 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -161.83 141.2 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.06 -118.81 3.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -129.4 93.85 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -79.62 175.81 10.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.46 -94.73 0.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 144.93 55.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.45 154.49 37.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.75 171.5 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 88.1 m-85 -90.44 140.26 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 p -111.2 -14.28 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -144.77 113.6 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -41.06 129.23 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' ASP . 2.5 tt -35.45 143.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 17' ' ' THR . 3.5 tmmm? -114.35 142.97 45.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 10.0 t -136.23 167.25 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -131.97 159.24 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -99.2 112.05 24.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.54 165.02 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -94.45 170.96 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.21 137.6 56.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.29 -20.75 24.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -175.9 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -121.96 113.92 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.7 131.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.5 m -119.86 117.12 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mp -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -138.53 143.28 39.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.8 p -142.79 143.27 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.38 160.09 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.8 mt -141.59 158.65 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -66.93 -28.53 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -165.77 166.68 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.89 114.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.94 148.23 19.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.74 33.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.1 m -124.89 -176.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -154.66 112.89 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.467 ' CD1' HD12 ' A' ' 55' ' ' LEU . 69.2 m95 -75.35 138.11 41.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -133.11 144.79 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.469 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 23.8 tttt -113.38 20.06 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.32 -144.3 13.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 4.06 2.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.72 177.23 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -121.53 152.42 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.1 mt -119.13 -177.0 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -151.72 -176.92 5.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -109.99 106.15 15.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.42 90.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.24 -142.39 15.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -43.32 -34.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -99.39 118.05 35.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -125.11 117.75 24.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.3 147.52 51.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -134.78 143.93 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.57 115.42 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -113.86 93.16 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.14 -105.97 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -109.41 22.64 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -139.04 129.25 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.2 157.73 17.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -142.71 114.89 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 44.1 tp -100.73 137.57 38.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -127.41 116.44 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.2 mt -104.19 93.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -71.69 152.1 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 63.47 53.31 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.68 156.92 10.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 73' ' ' ASP . 2.0 m -157.14 138.1 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.9 m -40.7 -33.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.64 95.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' SER . 4.6 m-20 -63.49 -13.87 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.86 104.03 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.93 -114.93 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 137.52 34.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.469 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 43.7 m-85 -123.91 121.92 36.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 m -111.29 145.7 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -123.88 118.32 26.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -94.45 125.83 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 19.7 t -130.56 95.41 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.25 -83.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -129.58 -39.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 178.19 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -164.05 147.16 9.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.405 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 11.2 t -137.22 146.26 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -118.57 151.43 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -150.93 109.83 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.9 m -73.14 120.38 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 91' ' ' THR . 13.0 tp -87.31 153.66 21.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.456 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 19.5 m -118.42 126.23 51.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.7 t -117.88 131.66 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -102.39 131.07 49.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.34 141.08 45.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 mt -51.21 155.73 2.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.94 2.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.78 168.88 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -116.96 143.2 45.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -104.17 -66.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.9 p -139.87 159.19 42.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -106.3 -175.77 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.46 114.52 3.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' GLY . 29.8 t -116.66 102.58 9.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.959 0.409 . . . . 0.0 110.881 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' SER . . . -35.6 146.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 150.34 67.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -100.85 -47.42 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 t 64.14 42.31 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -130.33 -46.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -153.25 138.85 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.49 95.91 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -65.43 170.96 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -135.29 154.7 51.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.82 -170.36 13.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 163.55 37.84 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.73 2.287 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.77 145.31 47.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.039 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -123.17 138.83 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.505 ' CD1' HD21 ' A' ' 32' ' ' LEU . 56.5 m-85 -59.7 135.67 57.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 p -111.99 -26.68 8.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -124.63 109.28 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.66 136.23 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tt -47.59 134.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -106.63 152.49 23.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 t -146.38 169.47 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.39 164.3 28.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 mt-10 -104.34 120.59 41.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.85 168.33 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.4 p -92.75 167.02 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' CD ' HG12 ' A' ' 71' ' ' VAL . 16.9 mt-10 -58.32 130.99 49.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.25 -17.62 58.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 m -123.84 118.53 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' N ' HD12 ' A' ' 69' ' ' LEU . . . -75.05 175.07 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.8 m -151.15 105.34 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mp -106.28 127.95 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.27 143.17 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.1 p -150.9 139.58 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -101.08 162.08 13.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD21 ' CD1' ' A' ' 11' ' ' PHE . 18.0 mt -136.23 164.17 28.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.0 p -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -172.8 167.75 5.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 t -59.72 106.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.81 146.1 25.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.071 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.55 25.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 81' ' ' CYS . 30.5 m -123.69 176.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -146.78 117.55 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 60.8 m95 -79.16 137.86 37.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -132.58 142.23 49.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.549 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 43.2 tttm -111.42 20.63 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.11 -144.05 12.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 4.42 2.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -117.27 166.35 12.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -114.73 137.22 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mt -103.62 -179.4 3.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -149.38 -179.07 6.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.47 116.34 31.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.16 91.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.72 -140.23 15.08 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -42.52 -36.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -105.27 112.09 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -117.12 128.2 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.73 148.87 45.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -123.67 155.71 37.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -126.73 107.68 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.32 85.47 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.92 -102.94 0.83 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.4 p -104.46 7.2 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -117.84 156.86 27.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.5 m -144.14 139.84 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.54 115.95 23.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.616 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 49.3 tp -100.02 117.22 33.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.92 126.83 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.481 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 42.6 mt -103.6 103.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -77.96 140.64 39.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 68.22 47.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 26' ' ' ALA . 13.6 mt -49.84 167.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -165.36 152.6 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.41 HG12 ' CD ' ' A' ' 22' ' ' GLU . 5.7 m -52.3 -30.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.45 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.75 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.38 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.23 -120.28 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.8 118.93 12.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.549 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 52.5 m-85 -104.82 118.69 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -104.95 143.28 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -122.03 116.4 24.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.5 mtt -94.5 122.42 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.414 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 37.5 t -128.56 94.24 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.33 -79.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -132.44 -42.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.53 171.01 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.6 ttm105 -154.77 154.18 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.9 t -148.85 138.21 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 m -117.87 151.14 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.89 119.05 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 m -76.35 112.53 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.6 tp -92.27 146.51 23.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 m -117.48 125.53 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.3 t -116.49 115.06 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -81.33 117.04 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.55 135.78 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.9 mt -46.62 153.58 0.76 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 112.16 3.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.53 170.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -105.92 36.27 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.24 141.78 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.1 p -76.93 138.14 39.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -97.66 -54.28 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.75 -164.48 25.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.1 m -143.04 156.16 44.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.69 84.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 179.61 3.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.8 m -113.65 170.31 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.3 t -137.22 156.36 48.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -146.73 142.15 27.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -122.67 34.34 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.18 77.8 0.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 m -87.09 -48.5 8.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -94.59 -54.42 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.57 -90.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.96 68.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 135.14 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -119.52 147.8 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CD1' HD21 ' A' ' 32' ' ' LEU . 45.5 m-85 -64.86 143.33 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -115.14 -28.6 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -127.04 106.45 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.85 125.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD13 ' CZ3' ' A' ' 40' ' ' TRP . 7.7 tt -60.07 144.66 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -137.39 169.74 17.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.472 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 8.0 t -137.38 179.77 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -125.25 168.37 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 17.2 pm0 -106.9 133.82 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.68 168.16 20.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -97.01 152.85 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -39.63 132.4 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.73 -36.28 3.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.74 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 m -130.9 122.79 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' CB ' HD11 ' A' ' 90' ' ' LEU . . . -81.19 172.03 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.2 m -153.22 105.04 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' A' ' 17' ' ' THR . 4.3 mp -98.57 145.34 26.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -129.98 145.19 51.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.2 p -151.19 143.18 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -106.38 155.04 19.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 11' ' ' PHE . 82.2 mt -130.35 154.93 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -62.35 -32.36 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -162.48 156.67 21.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.419 ' N ' HG22 ' A' ' 60' ' ' THR . 62.3 t -51.96 111.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.73 152.14 31.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 131.56 21.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' CG1' ' HB2' ' A' ' 81' ' ' CYS . 20.1 m -125.28 172.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -145.02 116.39 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CD1' HD21 ' A' ' 55' ' ' LEU . 56.5 m95 -78.22 146.4 34.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -135.89 147.7 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 55.0 tttt -112.57 17.99 18.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.29 -142.99 11.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -120.35 176.89 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 m -111.23 140.1 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 mt -98.02 177.08 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -153.96 163.49 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 6.7 p-10 -90.54 114.27 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.89 164.92 11.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.62 -96.64 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -124.09 39.42 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -151.07 130.89 13.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.95 120.69 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -130.15 103.18 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -101.2 158.53 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -125.0 102.82 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.28 87.34 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.57 -98.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 35' ' ' VAL . 22.6 p -110.67 13.53 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -123.61 164.61 18.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.2 m -142.86 125.01 15.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -110.77 116.44 31.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD23 ' CE3' ' A' ' 40' ' ' TRP . 12.2 tp -100.88 139.53 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -129.22 139.44 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.452 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 24.8 mt -121.83 100.13 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -79.8 140.07 36.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 73.11 49.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.6 mt -52.44 153.36 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 73' ' ' ASP . 2.4 m -154.52 139.51 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 m -39.4 -33.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.96 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.6 OUTLIER -54.66 -41.17 69.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.453 ' CB ' ' CG2' ' A' ' 92' ' ' VAL . . . -46.18 100.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.16 -128.46 1.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.01 110.86 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.452 ' CZ ' HD13 ' A' ' 66' ' ' ILE . 58.7 m-85 -97.43 120.23 37.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -114.05 141.5 47.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.0 t -122.15 120.63 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.0 mtt -95.82 129.6 43.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 37.4 t -133.14 95.05 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.15 -87.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -125.55 -40.06 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.22 170.98 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -156.33 141.15 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 163.82 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.7 p -146.77 156.31 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.38 126.17 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 83.6 m -84.6 114.1 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 26' ' ' ALA . 4.0 tp -82.47 144.49 30.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.5 m -104.53 127.32 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.453 ' CG2' ' CB ' ' A' ' 74' ' ' ALA . 38.4 t -123.98 127.84 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -104.26 122.39 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 151.38 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.87 157.17 8.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 128.96 16.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.67 110.19 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -65.1 -40.3 94.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 101' ' ' GLU . 24.7 t80 -51.52 95.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.4 t -64.54 73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -40.05 113.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.94 -103.82 0.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.5 m -116.31 126.39 53.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.69 -93.83 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.05 39.21 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.668 2.245 . . . . 0.0 112.277 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 107' ' ' SER . 46.1 t -74.5 119.31 18.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 106' ' ' SER . 18.5 m 34.56 48.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -121.91 154.7 36.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -127.84 160.47 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.15 -172.91 27.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -119.48 125.64 49.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -173.13 154.35 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.29 -167.12 32.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 162.7 41.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HB2' ' CG ' ' A' ' 34' ' ' LYS . . . -77.72 132.4 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -115.24 137.33 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.488 ' CD1' HD23 ' A' ' 32' ' ' LEU . 68.2 m-85 -53.62 138.87 33.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 p -113.8 -26.73 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -128.39 113.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -38.64 147.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.445 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 1.9 tt -71.8 133.3 45.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -118.74 170.59 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.456 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 8.7 t -154.16 -179.29 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -126.58 171.84 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 7.8 pt-20 -111.03 115.51 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.02 166.78 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.1 t -92.12 161.13 14.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' CD ' HG11 ' A' ' 71' ' ' VAL . 16.0 mt-10 -49.04 131.91 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.24 -26.97 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -175.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 m -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -85.21 173.43 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -153.06 110.61 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp -110.29 119.22 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -117.72 138.75 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.55 -179.67 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -128.91 165.12 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' A' ' 11' ' ' PHE . 30.2 mt -144.41 154.82 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -61.81 -29.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -163.18 153.57 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.1 t -54.05 114.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.51 152.95 28.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.68 17.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.8 m -128.66 170.14 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.88 132.87 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.529 ' CE3' HD22 ' A' ' 64' ' ' LEU . 30.3 m95 -88.8 145.16 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -137.49 147.35 45.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -113.38 17.38 18.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.76 -143.52 11.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.39 172.91 7.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -115.67 138.86 50.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.28 177.04 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -150.66 168.85 23.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.84 113.15 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.33 -67.45 0.25 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.01 -126.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 49.6 mtp180 -80.96 42.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 95.8 m-85 -161.1 116.04 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -118.81 117.91 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD11 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.1 144.81 51.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -131.84 144.24 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 18.1 tp60 -93.95 154.67 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 11.3 m-20 -155.7 165.0 37.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.13 106.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.6 p 47.11 30.05 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -146.09 142.42 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.5 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.41 127.42 53.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.529 HD22 ' CE3' ' A' ' 40' ' ' TRP . 9.1 tp -117.29 123.63 47.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -114.04 135.59 53.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 mt -115.01 97.69 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -73.72 155.37 39.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 52.34 47.85 23.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 26' ' ' ALA . 12.3 mt -47.38 171.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -168.27 143.85 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.414 HG11 ' CD ' ' A' ' 22' ' ' GLU . 6.9 m -49.54 -34.01 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -28.3 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.14 -31.24 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.78 106.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.67 -122.67 0.79 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.523 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -135.63 110.17 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.42 119.05 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.417 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 6.8 m -110.57 150.1 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.95 121.85 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 47.0 mtt -97.31 121.75 39.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.7 t -132.83 107.1 8.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.63 -91.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -127.31 -30.0 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.24 177.78 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 78' ' ' SER . 56.5 ttt-85 -166.69 137.88 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.7 t -132.21 163.33 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.9 p -142.44 146.47 34.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.84 125.92 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -82.43 114.47 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 91' ' ' THR . 6.2 tp -83.11 151.81 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 57.6 m -113.57 126.62 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -127.38 115.36 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.59 127.61 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.68 151.13 39.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.26 152.23 79.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.75 2.63 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.736 2.29 . . . . 0.0 112.338 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.04 162.96 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 166.38 13.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -157.96 124.81 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.1 m -64.16 94.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.64 166.65 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.97 -101.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.1 p -120.89 163.68 17.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.59 172.29 22.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.88 69.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -160.4 174.94 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -75.89 160.19 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.798 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -91.55 167.78 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -123.5 46.62 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.05 150.57 22.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -114.86 160.75 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.353 . . . . 0.0 110.856 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -129.84 45.71 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . . . -173.47 -97.81 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 169.33 19.24 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.31 -179.09 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -144.34 -179.25 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -98.45 134.03 42.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -111.36 -12.55 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 14' ' ' ASP . 7.8 mm100 -143.02 108.81 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.3 m-20 -35.72 124.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 30' ' ' CYS . 6.3 tp -48.3 128.24 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -104.89 146.63 28.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 4.4 t -128.08 173.93 9.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -130.71 154.14 48.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.7 pt-20 -99.23 127.35 45.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.05 167.57 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -94.91 170.78 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.14 136.15 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.69 -23.9 9.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -177.55 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -120.16 133.61 55.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.95 179.46 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 m -159.66 109.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 mp -111.99 133.69 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -123.18 140.51 52.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 9.8 p -144.98 137.23 25.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -91.62 172.65 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.423 HD13 ' CG1' ' A' ' 38' ' ' VAL . 61.5 mt -153.15 150.47 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -63.8 -28.77 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 7' ' ' GLY . 6.8 pttt -160.54 151.5 18.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.0 t -55.35 112.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.95 152.13 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.38 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 ' CG1' HD13 ' A' ' 32' ' ' LEU . 5.6 m -108.28 158.85 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -125.36 131.95 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 m95 -91.4 144.36 25.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HB2' ' CE ' ' A' ' 80' ' ' MET . 23.1 mttp -136.35 146.37 46.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.529 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 26.0 tttt -111.69 19.47 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.18 -142.86 11.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -121.39 170.3 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.27 139.52 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -100.86 -177.03 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -156.83 155.23 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -82.2 123.95 29.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.4 -63.7 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.24 -136.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -81.05 43.2 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -150.81 110.96 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -104.36 109.11 20.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.57 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -111.5 118.07 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -114.3 139.61 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 13.2 tp60 -99.68 150.12 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 3.0 m-20 -148.56 165.15 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.34 108.61 0.23 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.2 p 44.79 31.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.195 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -151.35 154.03 35.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.3 m -138.65 151.68 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -141.39 107.69 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.567 HD21 ' CZ3' ' A' ' 40' ' ' TRP . 21.9 tp -98.11 145.25 26.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -131.28 141.34 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 mt -121.21 89.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -65.52 152.33 44.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 52.83 54.99 9.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.06 171.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 t -167.81 164.4 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.93 -19.21 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.93 -24.54 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.92 -25.05 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -63.03 102.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.58 -121.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -138.12 108.75 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.529 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.7 m-85 -98.79 120.78 39.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -113.19 145.87 40.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 19.5 t -119.68 121.44 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -95.83 122.07 38.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.9 t -133.12 95.82 3.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.36 -103.81 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -118.14 -19.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.61 176.71 7.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.4 ttp180 -164.99 147.28 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.442 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 6.9 t -142.84 154.44 44.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.0 p -135.82 142.17 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.39 96.38 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.1 m -50.59 120.4 4.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 91' ' ' THR . 4.2 tp -87.97 148.95 24.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 94.1 m -111.22 130.51 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 59.1 t -127.63 125.28 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -97.08 127.22 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -77.27 123.58 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.4 mt -37.21 154.48 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 151.39 68.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.97 -55.28 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -95.16 161.73 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -129.33 86.84 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.7 p -39.17 143.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.096 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -165.67 105.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.2 -134.46 4.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -97.04 175.03 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.5 -178.17 50.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.63 69.02 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.7 2.266 . . . . 0.0 112.382 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.3 t -117.04 -51.52 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -39.8 -53.12 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -105.83 -43.73 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -117.01 165.01 13.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.05 170.96 13.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.536 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -75.38 86.14 2.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 p -159.5 117.58 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.0 -161.27 33.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -173.33 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.256 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.18 150.69 28.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -122.59 137.62 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 69.6 m-85 -61.32 135.22 57.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.0 p -111.43 -16.37 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.5 105.71 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.31 127.63 2.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 8.0 tt -62.16 137.03 58.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -124.22 -179.6 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 5.6 t -147.0 -176.17 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -131.51 166.69 20.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.0 pt-20 -108.97 109.95 21.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -117.05 168.06 10.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.1 p -90.32 161.19 15.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -51.85 137.44 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 -4.54 83.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.39 -175.09 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.3 m -129.74 106.11 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.69 -175.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -165.65 109.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CD2' ' HB ' ' A' ' 17' ' ' THR . 4.8 mp -103.54 152.62 21.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -135.4 138.8 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 p -145.21 139.06 26.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -100.36 163.67 12.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 11' ' ' PHE . 24.6 mt -139.51 160.08 40.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -67.3 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' C ' HG21 ' A' ' 60' ' ' THR . 10.9 pttm -165.05 163.9 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.92 114.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.34 19.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.01 10.66 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.6 -178.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -155.73 117.92 4.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.571 ' CZ3' HD22 ' A' ' 64' ' ' LEU . 42.3 m95 -78.19 150.25 33.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -143.4 153.92 43.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 63.5 tttt -123.16 13.42 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 150.11 -141.35 8.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.2 Cg_endo -69.81 3.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -116.86 166.7 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m -110.3 140.02 44.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.56 HD22 ' CE2' ' A' ' 53' ' ' TYR . 6.8 mt -114.07 158.93 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 28.0 mmm180 -151.8 138.9 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -49.23 114.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.01 -66.86 0.2 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.58 -128.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -83.93 36.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.56 ' CE2' HD22 ' A' ' 47' ' ' LEU . 57.5 m-85 -146.3 121.6 10.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -107.86 96.12 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 40' ' ' TRP . 0.8 OUTLIER -94.71 123.72 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -120.44 121.67 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.14 132.9 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.53 69.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 -107.76 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.418 HG21 ' C ' ' A' ' 34' ' ' LYS . 14.4 p -99.68 27.69 5.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.775 0.321 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -145.63 155.67 43.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.7 m -139.68 139.57 36.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -122.1 110.85 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 40' ' ' TRP . 3.9 tp -92.16 137.24 32.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -127.49 137.24 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.2 mt -124.0 94.74 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -71.59 154.1 41.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.55 54.37 5.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD1' ' HB1' ' A' ' 20' ' ' ALA . 12.7 mt -57.67 164.25 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -161.67 160.1 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 m -61.55 -31.61 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.067 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.51 -26.67 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.56 -19.38 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 92' ' ' VAL . . . -66.75 101.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.66 -132.7 2.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -133.14 112.4 11.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 35.6 m-85 -99.31 122.73 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -107.99 144.45 35.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.75 114.91 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.5 mtt -96.28 128.23 43.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 12.0 t -132.75 97.35 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.35 -84.98 0.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -122.78 -44.05 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.48 166.38 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 86' ' ' THR . 51.8 ttp180 -158.66 153.77 25.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 1.2 t -137.33 159.89 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -136.71 152.03 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.44 118.69 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.5 m -76.28 112.51 12.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.07 138.36 39.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -106.23 132.95 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 74' ' ' ALA . 21.2 t -128.1 114.14 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -84.41 109.55 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.96 138.35 57.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt -49.67 150.32 3.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 125.8 12.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.374 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.51 -32.87 20.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -130.63 -178.01 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -116.07 141.29 48.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.9 t -124.83 155.38 39.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.48 103.6 9.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.67 59.35 4.59 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -48.72 137.62 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.19 147.41 4.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 121.06 7.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.1 m -48.03 -58.97 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.3 p -164.88 115.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.484 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -101.98 118.83 37.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -100.76 106.11 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.03 77.55 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -117.0 95.88 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -77.4 172.64 13.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.08 -96.52 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 147.0 62.13 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.73 139.46 56.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -112.77 147.66 36.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CD1' HD23 ' A' ' 32' ' ' LEU . 65.2 m-85 -70.35 142.26 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -114.97 -29.13 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ASP . 3.7 mm100 -125.42 109.54 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' GLN . 9.7 p-10 -37.39 146.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.77 143.04 52.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 16' ' ' LYS . 5.0 tmtt? -117.44 146.84 43.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -140.56 176.48 8.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -141.27 170.0 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -110.79 131.08 55.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -136.81 168.15 20.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.0 p -90.26 168.54 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' CD ' HG12 ' A' ' 71' ' ' VAL . 31.0 mt-10 -59.35 119.52 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.69 -22.47 33.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.42 -176.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.0 m -120.24 127.9 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 m -157.58 108.15 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mp -110.13 120.63 43.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.49 137.24 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.2 p -140.07 174.43 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -133.46 166.23 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.485 HD23 ' CD1' ' A' ' 11' ' ' PHE . 24.4 mt -145.65 154.37 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 t -60.23 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -168.48 155.29 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.3 t -50.51 109.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 150.42 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.45 40.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.5 m -137.39 171.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.23 116.89 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.602 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 42.4 m95 -74.19 147.16 42.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -143.77 152.05 40.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 37.9 tttm -121.14 21.41 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.12 -144.16 13.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.88 167.36 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.7 m -114.62 147.91 38.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 mt -114.19 -178.0 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -166.54 157.7 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -62.1 159.53 14.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.78 156.93 24.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.59 -127.7 37.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.54 36.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -155.56 115.01 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -122.41 117.9 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.602 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -117.78 124.57 48.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -117.04 125.63 51.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -96.34 107.74 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -104.57 80.93 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.65 -97.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 76.8 p -111.51 27.02 10.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 111.119 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 61' ' ' ARG . 14.7 mtm105 -140.99 151.64 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.8 m -132.21 137.51 47.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.92 108.26 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.489 HD23 ' CE3' ' A' ' 40' ' ' TRP . 21.2 tp -98.59 131.9 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -120.98 120.69 36.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.7 mt -97.57 89.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -70.32 137.64 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.28 47.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 13.4 mt -47.94 164.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -162.57 145.62 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.406 HG12 ' CD ' ' A' ' 22' ' ' GLU . 4.8 m -50.23 -22.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.34 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -30.35 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 102.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.3 -121.54 0.75 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.56 112.85 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 90.7 m-85 -97.22 117.99 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -104.62 145.57 30.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.0 mtt -95.71 125.94 40.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 53.8 t -131.87 97.19 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.85 -87.69 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -121.06 -37.7 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.41 174.6 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -165.06 147.2 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.0 t -135.45 163.47 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -145.04 140.68 28.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.75 110.25 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.5 m -68.62 124.75 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 91' ' ' THR . 4.6 tp -94.09 149.63 21.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 30.9 m -116.92 121.93 42.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.9 t -117.12 127.46 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -93.47 138.81 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.61 141.49 32.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.42 154.61 2.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.33 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.02 164.96 21.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -94.66 143.69 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -128.66 131.58 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.9 t -118.46 149.43 41.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -143.53 127.42 17.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.28 148.44 8.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -112.46 -54.88 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.93 67.33 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 156.62 62.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.2 m -121.97 132.84 54.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.1 p -133.07 164.09 27.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -54.27 112.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -120.69 121.16 37.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.37 151.56 7.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -163.6 126.63 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -52.85 103.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.67 -157.72 10.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HG3' ' CG ' ' A' ' 83' ' ' GLN . 54.2 Cg_endo -69.78 168.5 21.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.388 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.86 131.05 42.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -109.9 160.43 16.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.551 ' CE2' HG23 ' A' ' 86' ' ' THR . 52.8 m-85 -77.72 141.52 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.3 p -113.98 -23.43 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASP . 23.8 mm-40 -134.72 108.18 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' GLN . 5.9 t0 -36.43 154.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 16' ' ' LYS . 1.8 tt -59.47 153.52 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -121.88 153.99 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -168.9 175.8 5.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -149.23 179.96 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.48 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 3.9 pt-20 -113.75 110.33 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -109.31 168.5 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.086 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -86.4 169.27 13.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.58 126.75 28.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.08 -19.19 55.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -174.81 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 m -127.0 119.12 25.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.82 -175.99 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.42 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 22.4 m -168.23 105.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mp -98.4 120.32 38.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.48 130.0 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.29 156.18 49.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -118.78 161.73 19.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 mt -138.82 163.9 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -76.78 -25.7 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -147.59 -178.88 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -93.59 98.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.34 60.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 114.29 3.65 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.1 m -106.65 176.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -146.78 132.11 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CE3' HD22 ' A' ' 64' ' ' LEU . 30.6 m95 -87.85 144.89 26.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -133.75 145.06 49.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -111.21 20.69 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.87 -143.4 12.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 3.77 2.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -118.96 174.65 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m -113.17 137.8 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.6 mt -99.52 173.86 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -150.59 164.75 35.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CB ' HD11 ' A' ' 55' ' ' LEU . 1.8 p30 -95.47 146.78 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.28 -68.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.49 -128.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 84.0 mtm180 -81.8 44.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 85.1 m-85 -158.44 108.69 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -101.33 108.26 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 40' ' ' TRP . 2.2 mp -110.59 133.32 53.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -133.06 131.09 40.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -102.51 108.56 19.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -97.73 72.54 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.33 -91.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -113.18 31.72 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -151.03 153.82 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.5 m -131.42 145.07 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -129.51 108.83 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD22 ' CE3' ' A' ' 40' ' ' TRP . 28.3 tp -100.66 121.57 41.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -109.91 90.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -69.41 146.23 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.53 53.28 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.0 mt -52.22 158.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 p -159.18 160.67 35.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -26.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.91 56.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.65 -29.24 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.08 101.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.49 -122.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -139.74 112.75 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -100.02 128.16 46.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.57 148.03 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 t -126.09 113.83 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.6 mtt -95.69 124.89 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 14.9 t -130.7 96.8 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.42 -87.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.431 ' CG ' ' HG3' ' A' ' 8' ' ' PRO . 14.0 mm100 -125.63 -29.26 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.927 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -86.18 165.6 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -159.16 143.43 15.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.551 HG23 ' CE2' ' A' ' 11' ' ' PHE . 6.8 t -128.63 151.36 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.4 p -123.9 148.04 47.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.407 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -141.43 105.06 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.6 m -69.87 114.39 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 tp -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -111.94 142.34 44.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.2 t -129.22 119.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -85.29 119.71 25.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -76.37 129.09 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.2 mt -37.16 153.06 0.11 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.75 28.75 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.4 157.33 20.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.76 158.82 29.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -171.82 163.66 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 t -77.5 48.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.01 -54.3 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.63 110.64 2.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.8 p -62.75 -35.63 80.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.93 83.45 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 127.02 13.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.8 p -147.31 179.15 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.4 m -106.77 132.28 52.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -108.86 141.96 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -96.58 41.34 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.83 -157.82 25.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -112.75 -43.91 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -87.01 108.23 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.79 146.14 5.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 177.04 5.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB3' ' CG ' ' A' ' 34' ' ' LYS . . . -74.11 169.85 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.072 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -136.22 138.45 41.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.479 ' CD1' HD23 ' A' ' 32' ' ' LEU . 68.9 m-85 -58.05 141.34 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -117.98 -21.59 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -134.68 123.25 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.44 144.53 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 2.7 tt -64.74 136.24 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -111.32 171.03 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.42 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 11.5 t -160.16 174.33 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -129.95 169.73 14.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 45.7 tt0 -111.53 109.98 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.07 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 t -94.53 164.5 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -47.44 139.47 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.34 -17.71 12.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.31 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.7 m -121.93 120.48 34.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.33 178.09 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -157.36 108.17 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.3 134.84 52.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -122.47 145.49 48.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 p -144.13 134.24 24.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.87 157.47 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 11' ' ' PHE . 71.0 mt -138.84 147.01 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -55.7 -28.06 53.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.442 ' CG ' ' HB3' ' A' ' 9' ' ' ALA . 11.0 pttt -162.3 159.32 25.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 60' ' ' THR . 50.0 t -59.97 112.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.46 147.0 19.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.0 10.66 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.77 177.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -140.58 136.5 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.501 ' CD1' HD13 ' A' ' 55' ' ' LEU . 56.6 m95 -95.29 141.12 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -129.98 147.47 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 41.6 tttm -114.13 15.97 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.7 -143.16 10.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 4.16 2.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -120.23 178.14 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.7 m -118.09 139.45 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -100.25 -175.98 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.5 mtm-85 -155.8 167.16 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 49' ' ' ASP . 1.9 p-10 -104.1 112.65 25.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 154.15 84.24 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.51 -129.08 6.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -53.89 -41.41 67.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -97.19 111.46 23.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -113.98 117.13 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -128.84 124.17 34.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -113.38 131.13 56.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -92.34 149.58 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -147.87 176.29 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.61 104.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 35' ' ' VAL . 22.5 p 41.25 32.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -152.48 118.35 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.52 155.18 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -137.27 122.48 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 55' ' ' LEU . 38.2 tp -106.86 129.61 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -126.6 124.55 40.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.0 mt -105.72 108.6 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.47 145.3 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t0 59.37 52.65 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -48.8 177.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -170.63 154.32 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -16.96 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.91 -33.06 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.36 -24.99 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.0 102.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.5 -119.85 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -139.38 110.98 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.95 123.32 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.7 m -117.09 145.1 43.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.5 t -122.46 116.3 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -94.52 128.83 41.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 t -132.89 94.24 3.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.35 -85.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.52 -43.95 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -61.93 170.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -163.53 136.06 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.8 t -130.0 162.03 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.2 p -139.03 149.81 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.95 123.44 14.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 m -83.46 108.83 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -84.43 144.65 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.2 m -112.76 132.01 55.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.6 t -126.17 135.32 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -108.4 138.8 44.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.32 134.99 34.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt -45.64 153.06 0.64 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 142.3 47.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -135.07 173.25 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -93.58 164.88 13.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -128.56 145.54 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.0 m -42.09 108.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 102' ' ' GLY . 35.6 mt-10 60.17 42.92 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 101' ' ' GLU . . . -36.73 125.51 1.0 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -119.55 168.38 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.77 147.18 11.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 99.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -78.05 146.74 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.1 p -86.3 -55.23 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -113.55 84.49 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -85.17 121.52 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.53 80.92 1.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -97.12 137.93 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.3 p -142.43 175.68 9.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.07 -114.42 3.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 156.86 62.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 164.87 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HG2' ' CB ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -134.62 -177.51 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.473 ' CD2' HD22 ' A' ' 32' ' ' LEU . 85.6 m-85 -104.97 139.37 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.0 p -113.62 -21.8 10.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -129.76 109.86 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.79 134.52 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 tt -44.51 146.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 17' ' ' THR . 1.3 tmmm? -118.1 153.41 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.465 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 7.0 t -150.42 178.68 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' CE ' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -146.64 157.99 43.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -96.47 126.4 41.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HB1' ' CE ' ' A' ' 18' ' ' LYS . . . -136.54 167.88 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.082 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -97.3 168.16 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -49.86 139.23 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.27 -26.91 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.68 -179.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 m -124.95 121.39 34.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -87.25 134.48 33.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.1 m -118.45 119.43 34.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mp -116.66 137.41 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -127.23 139.09 53.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -143.53 140.24 30.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -98.55 162.49 13.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD22 ' CD2' ' A' ' 11' ' ' PHE . 39.7 mt -136.52 159.38 41.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.413 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 5.3 t -65.95 -27.78 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -164.76 158.72 17.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.8 t -55.18 113.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 154.53 31.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 142.94 49.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 178.08 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -158.4 110.87 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.523 ' CD1' HD13 ' A' ' 55' ' ' LEU . 47.6 m95 -70.99 144.59 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 18.9 mttp -138.42 148.02 43.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -120.11 33.77 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.75 -145.72 17.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.11 2.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -116.39 172.47 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 m -118.82 141.82 48.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 41' ' ' LYS . 5.1 mp -110.45 171.16 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -147.89 -176.73 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -105.52 116.03 31.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.22 -101.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.88 -83.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -43.05 -41.19 3.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.411 ' CE2' ' CD2' ' A' ' 47' ' ' LEU . 4.5 m-85 -105.91 138.62 41.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -141.12 117.37 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.74 146.54 51.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -130.85 144.9 51.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -105.82 130.57 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.94 93.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.89 -100.38 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -109.51 34.45 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -143.36 149.25 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -135.24 120.09 18.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -107.15 123.48 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD22 ' CE3' ' A' ' 40' ' ' TRP . 29.6 tp -111.3 117.76 34.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -116.5 111.28 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.3 mt -97.13 105.96 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -81.73 142.22 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t0 72.08 54.71 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 26' ' ' ALA . 15.2 mt -57.98 166.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -160.75 150.74 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.6 m -57.19 -20.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.47 -25.22 33.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.33 -27.61 59.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' CB ' HG22 ' A' ' 92' ' ' VAL . . . -58.19 103.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.15 -123.89 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -132.73 112.57 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.555 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 83.8 m-85 -97.71 116.17 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.39 140.51 45.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.3 t -119.39 122.23 41.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.9 mtt -97.99 129.07 44.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 t -132.58 96.57 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.81 -81.51 0.64 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.31 -44.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.98 173.55 4.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -162.62 143.8 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.3 t -132.61 147.84 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.9 p -127.15 146.35 50.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.67 108.18 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.6 m -68.32 123.6 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 tp -101.87 144.79 30.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.3 m -109.02 140.05 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.429 HG22 ' CB ' ' A' ' 74' ' ' ALA . 99.1 t -129.82 135.02 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.17 125.23 50.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.51 148.14 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.7 155.41 14.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 125.63 12.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.84 157.11 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 62.56 39.94 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 101' ' ' GLU . 17.6 t80 -100.06 92.96 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.4 p -90.01 -21.14 22.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.538 ' O ' ' CE2' ' A' ' 99' ' ' PHE . 11.7 tt0 -80.44 126.57 31.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -146.55 -52.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -168.49 147.91 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -157.29 -74.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -20.0 35.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 p -108.34 151.2 26.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.1 p -107.94 160.84 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -152.68 168.74 24.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 m -102.7 40.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.15 -130.73 6.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -104.34 155.39 18.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p -93.09 -49.94 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.0 -156.81 16.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.7 51.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 36' ' ' ALA . . . -58.92 161.94 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' CD ' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -139.58 174.97 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 67.1 m-85 -93.95 137.52 33.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.6 p -112.8 -20.21 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 9.6 mm100 -134.28 110.82 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.72 122.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 6.2 tp -58.99 138.96 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -124.57 -179.44 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.471 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 3.4 t -145.35 179.37 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -130.55 161.46 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -103.1 136.26 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -145.16 167.09 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 t -91.26 163.13 14.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -50.18 143.09 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.86 -11.01 16.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.0 -179.1 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.7 m -121.17 119.93 33.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 69' ' ' LEU . . . -74.18 168.51 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -155.69 105.93 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB ' ' A' ' 17' ' ' THR . 5.0 mp -104.33 148.68 26.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -131.33 141.24 49.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.8 p -148.35 152.08 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 10.3 tt0 -109.1 169.99 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.6 mt -150.46 153.66 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.469 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 16.0 t -62.93 -29.62 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -162.17 158.92 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.6 t -59.66 114.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -151.99 151.37 27.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.719 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 123.35 10.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.223 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -121.9 167.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -138.9 133.9 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 28.9 m95 -91.07 147.67 22.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.02 149.98 49.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 44.3 tttm -118.79 11.81 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 151.43 -141.4 8.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.6 Cg_endo -69.75 2.79 3.21 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -115.37 171.82 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -114.03 143.58 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 42' ' ' LYS . 8.7 mt -114.93 150.67 35.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -150.03 148.63 29.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -55.15 134.47 49.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.6 109.78 1.83 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.74 -123.23 5.92 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -94.66 31.25 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -150.73 129.07 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -120.69 116.04 24.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.57 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -125.84 109.47 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -104.81 134.38 48.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 15.5 tp60 -90.32 152.0 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 4.9 t70 -152.34 162.48 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.34 105.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 p 48.82 30.92 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.11 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -152.03 145.23 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -138.93 141.81 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -127.56 114.52 17.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.555 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 12.7 tp -99.35 141.83 31.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -133.71 137.43 45.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.7 mt -115.99 96.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -71.01 134.46 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t0 74.71 53.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD1' ' HB1' ' A' ' 20' ' ' ALA . 17.6 mt -55.58 163.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -168.28 152.07 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -27.6 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.06 -32.01 56.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.14 -26.02 67.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' CB ' HG22 ' A' ' 92' ' ' VAL . . . -66.14 103.38 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.26 -130.14 1.46 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.443 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -131.27 107.85 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.436 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 87.6 m-85 -97.08 116.41 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.27 136.37 49.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -117.04 116.23 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.5 mtt -94.55 125.81 39.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -130.67 95.97 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.13 -97.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -115.93 -31.91 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.18 169.79 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 12.8 ttp-105 -160.39 150.13 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 15' ' ' LEU . 8.9 t -145.8 158.34 43.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.4 p -139.62 152.77 47.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.05 111.55 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.4 m -67.56 114.72 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 91' ' ' THR . 7.2 tp -79.44 152.74 30.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 88.7 m -115.69 126.98 54.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.403 HG22 ' CB ' ' A' ' 74' ' ' ALA . 60.7 t -122.12 112.88 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mmp_? -90.06 122.96 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.61 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.14 150.33 15.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 123.61 10.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.2 -13.44 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -103.08 12.92 35.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -43.06 -61.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.8 t -108.88 131.97 54.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -54.78 115.26 2.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.33 -31.89 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.51 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -41.54 -32.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.417 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.38 83.83 0.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.18 4.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t 64.13 52.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.3 m -85.32 -176.16 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p -72.57 118.99 16.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -159.28 161.89 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.59 98.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 p -77.33 145.05 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -90.31 42.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.22 -175.01 25.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 160.05 51.15 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.491 ' N ' ' HZ2' ' A' ' 34' ' ' LYS . . . -67.37 127.05 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -113.28 137.04 52.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.527 ' CD1' HD21 ' A' ' 32' ' ' LEU . 87.1 m-85 -60.55 143.47 53.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.1 p -115.45 -28.73 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -128.65 112.16 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.07 148.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD13 ' CZ3' ' A' ' 40' ' ' TRP . 1.8 tt -66.96 129.2 39.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.8 mmmm -110.45 167.38 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.481 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 3.2 t -148.13 178.56 8.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -127.93 170.25 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 6.9 pt-20 -110.24 109.98 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -117.75 165.18 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -92.89 157.91 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' CD ' HG11 ' A' ' 71' ' ' VAL . 25.3 mt-10 -48.0 132.23 15.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.42 6.0 86.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.84 179.7 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -117.5 118.22 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.65 168.35 18.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -150.61 114.26 4.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 17' ' ' THR . 5.1 mp -106.2 139.65 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -122.22 131.37 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.03 157.93 45.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -117.25 167.73 10.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 11' ' ' PHE . 47.1 mt -143.39 163.58 32.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -74.52 -22.51 59.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HZ2' ' N ' ' A' ' 9' ' ' ALA . 12.8 pttm -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.6 t -51.73 115.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -154.96 153.83 27.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.54 33.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.748 2.299 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 m -137.92 166.11 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -141.6 121.25 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.568 ' CZ3' HD13 ' A' ' 15' ' ' LEU . 26.1 m95 -79.48 149.76 31.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -140.04 149.69 43.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.562 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 24.0 tttt -120.84 17.62 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.27 -143.11 10.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 3.05 2.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.7 170.56 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -111.28 149.61 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 42' ' ' LYS . 7.3 mt -125.24 155.82 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -158.51 158.37 33.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' CB ' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -67.16 120.58 13.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.71 -60.85 0.25 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.22 -135.95 2.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 35.1 mmt180 -77.0 47.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 95.3 m-85 -161.99 111.36 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.22 118.64 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD22 ' CD1' ' A' ' 40' ' ' TRP . 0.2 OUTLIER -119.72 108.5 14.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -101.18 143.03 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -112.44 108.31 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -106.46 84.09 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.33 -105.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 55.3 p -104.79 14.92 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -129.8 151.71 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.6 m -129.42 151.68 49.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -134.58 118.1 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.555 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.4 tp -103.34 139.49 38.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -128.03 127.92 44.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.16 96.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -73.95 152.69 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 56.48 50.94 12.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.7 mt -53.49 177.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 73' ' ' ASP . 1.8 m -174.33 138.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG11 ' CD ' ' A' ' 22' ' ' GLU . 3.8 m -43.51 -34.02 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.6 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' SER . 5.1 m-20 -60.6 -38.63 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.9 106.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.51 -125.92 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -136.26 114.08 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 85.1 m-85 -97.11 117.12 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -111.28 142.08 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.7 t -122.68 123.5 41.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -100.99 126.77 47.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.419 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 38.5 t -129.32 97.3 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.62 -84.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -125.25 -39.19 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 169.85 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -160.16 146.47 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 13.3 t -134.76 162.12 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.3 p -136.51 149.01 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.75 126.86 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.8 m -90.45 106.47 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.7 tp -74.5 148.05 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -111.09 128.97 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 50.8 t -127.15 119.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -96.85 125.52 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.35 146.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.52 153.88 2.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 114.27 3.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.22 150.48 38.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -71.44 104.98 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -98.19 -53.57 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.9 m -75.17 111.52 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -102.68 90.03 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 43.94 -161.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 t -77.29 118.66 20.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.14 -96.81 0.56 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 113.82 3.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -121.16 81.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.7 m 52.0 52.73 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m 59.54 42.22 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 m -78.91 94.87 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.13 -59.26 1.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -57.91 117.57 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -39.43 -47.77 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.29 175.57 15.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.35 57.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 152.1 21.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' HD3' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -129.41 176.57 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -93.66 138.19 32.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.2 p -113.43 -27.53 7.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.2 mm-40 -127.3 104.77 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.6 p30 -36.14 129.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.8 tt -44.96 150.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' N ' HD23 ' A' ' 15' ' ' LEU . 13.9 tptt -136.21 153.61 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 t -136.14 -174.96 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -132.69 -177.57 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.435 ' OE2' ' NH1' ' A' ' 93' ' ' ARG . 13.1 tt0 -120.31 109.79 15.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 24' ' ' ALA . . . -122.08 168.38 12.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -102.14 169.62 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -50.96 143.09 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.58 2.77 81.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . . . -85.15 -174.19 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 26' ' ' ALA . 7.7 m -124.66 99.22 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' HB1' ' CG1' ' A' ' 66' ' ' ILE . . . -40.74 162.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.4 m -164.8 109.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -122.17 134.44 54.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -118.49 135.0 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.3 p -134.52 178.87 6.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 5.9 tt0 -134.55 166.05 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.4 mt -147.51 154.13 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.451 ' CB ' ' HD3' ' A' ' 10' ' ' ARG . 35.9 t -66.31 -23.71 66.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -162.44 158.43 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.42 104.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.83 149.31 35.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 129.72 18.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.46 170.86 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -132.8 133.06 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CE3' HD21 ' A' ' 64' ' ' LEU . 45.2 m95 -94.56 149.5 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.6 mttt -138.29 147.12 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -112.17 15.68 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.81 -142.69 10.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.58 174.47 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -114.45 137.04 52.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' C ' ' HD3' ' A' ' 48' ' ' ARG . 83.8 mt -99.05 -178.03 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 2.1 mpp_? -157.11 167.8 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' CB ' HD12 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -91.64 113.76 26.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.44 174.73 24.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.47 -94.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.476 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -119.08 42.33 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -155.93 123.39 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -124.79 114.88 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.521 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 1.1 mp -116.65 103.49 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -97.53 118.22 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -89.53 153.42 20.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -157.85 177.8 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.45 103.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p 39.51 38.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -156.26 133.89 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.1 m -127.02 147.24 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -128.02 113.91 16.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD21 ' CE3' ' A' ' 40' ' ' TRP . 22.8 tp -96.66 127.5 42.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -122.17 130.4 53.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.468 ' CG1' ' HB1' ' A' ' 26' ' ' ALA . 6.6 mt -115.18 95.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -67.63 138.24 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 t70 74.92 52.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.97 163.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -171.5 155.64 4.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.77 -31.54 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.07 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.62 -13.4 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.99 100.3 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.63 -120.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.532 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.77 136.7 34.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -118.96 129.89 55.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LYS . 14.8 m -119.17 140.47 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.22 120.15 31.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -98.46 131.36 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.52 95.48 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.77 -87.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -123.25 -37.06 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.69 167.77 17.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -154.67 150.85 28.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.426 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 4.2 t -144.45 160.39 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.9 t -139.36 157.71 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.88 125.56 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.6 m -87.55 116.62 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 tp -84.32 145.42 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.3 m -113.18 122.7 48.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -119.55 134.17 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -103.39 125.65 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.0 138.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 mt -44.26 155.0 0.37 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 147.8 63.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.405 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.53 -31.9 22.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -122.26 136.64 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -100.15 174.19 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.9 p -60.88 102.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 27.1 tt0 -114.82 152.86 31.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.432 ' N ' ' HG2' ' A' ' 101' ' ' GLU . . . -93.78 169.05 29.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.4 t -131.56 -61.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.93 167.39 24.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 162.72 40.96 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.7 m -51.95 164.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.7 m -71.05 148.41 47.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.495 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -64.73 92.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -67.72 143.45 55.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.8 -50.08 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -60.51 105.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -171.15 113.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.19 -89.98 2.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 160.21 50.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.22 154.88 21.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -124.92 141.69 51.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CD1' HD23 ' A' ' 32' ' ' LEU . 49.7 m-85 -58.84 139.18 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -113.94 -25.15 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -130.86 111.9 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.6 143.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tt -53.81 142.75 22.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 17' ' ' THR . 1.8 tmmm? -108.9 157.39 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.471 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 6.0 t -167.55 163.39 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HE3' ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -136.7 -174.99 3.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -118.57 109.86 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -112.05 168.95 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -90.35 169.81 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.28 143.08 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.4 -21.21 6.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -173.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.6 m -125.51 112.28 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' CB ' HD12 ' A' ' 66' ' ' ILE . . . -64.28 176.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.469 ' N ' ' HE3' ' A' ' 18' ' ' LYS . 55.3 m -168.01 107.69 0.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.02 124.0 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -116.09 126.71 54.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.0 p -128.89 159.41 35.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -114.29 168.76 9.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 11' ' ' PHE . 33.8 mt -147.62 156.28 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -61.82 -29.79 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -163.19 171.98 15.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.98 108.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.92 156.43 44.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.698 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 130.08 18.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.408 ' CG1' HD11 ' A' ' 32' ' ' LEU . 26.6 m -122.86 166.98 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -143.89 119.8 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.688 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 38.7 m95 -79.56 144.87 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -139.8 147.24 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -112.07 7.81 19.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 155.9 -141.77 8.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.1 Cg_endo -69.84 4.23 2.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.296 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -118.15 170.97 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -116.49 133.85 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.9 mt -100.35 172.22 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.35 164.49 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' CB ' HD12 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -84.73 127.36 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.56 -102.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -88.05 -109.44 1.02 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -37.56 -51.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.834 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -74.71 111.14 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -123.45 101.12 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.688 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -99.8 141.86 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -134.26 122.86 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -94.52 115.01 27.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.01 85.11 2.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.73 -103.25 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.4 p -108.34 22.76 15.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -137.7 158.28 44.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.9 m -138.22 137.6 37.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.71 119.9 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.573 HD23 ' CE3' ' A' ' 40' ' ' TRP . 16.0 tp -106.44 122.32 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -112.64 128.37 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.47 HD12 ' CB ' ' A' ' 26' ' ' ALA . 5.2 mt -111.4 89.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -62.91 148.01 48.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.86 44.53 4.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD1' ' HB1' ' A' ' 20' ' ' ALA . 11.2 mt -42.24 157.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.415 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -158.05 154.2 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 m -56.43 -22.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.06 61.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.98 -31.76 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.94 100.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.24 -122.31 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -139.18 109.89 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -99.7 119.11 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.25 139.34 41.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.7 t -120.66 116.02 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.2 mtt -95.47 127.83 41.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 19.9 t -133.0 96.09 3.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.23 -86.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -126.23 -41.51 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.83 173.47 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -163.63 141.11 7.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.1 t -133.61 157.14 46.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.41 150.92 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.65 119.33 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.3 m -74.45 115.36 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.3 tp -91.58 139.87 30.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.408 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 89.2 m -111.31 142.65 43.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.415 HG11 ' C ' ' A' ' 70' ' ' SER . 47.9 t -134.39 123.03 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -87.64 125.99 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.85 133.14 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -42.12 153.07 0.3 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 113.13 3.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.37 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -39.06 155.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.2 125.35 8.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -83.31 -55.4 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -140.02 172.09 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.44 ' N ' ' OG1' ' A' ' 100' ' ' THR . 4.1 tt0 -81.76 94.11 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.56 -125.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.8 p -148.64 143.02 26.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -45.25 167.8 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 152.17 69.4 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.7 m -59.16 157.22 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.4 p -94.92 159.05 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.52 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -89.4 174.44 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -158.32 155.47 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 92.57 -102.87 2.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 10.7 t 36.94 42.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -139.15 150.02 45.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . . . 143.35 -95.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.73 26.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.3 122.99 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -110.65 135.92 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CD1' HD21 ' A' ' 32' ' ' LEU . 62.4 m-85 -56.95 139.91 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.6 p -115.5 -35.36 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.6 mm-40 -116.27 108.78 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -37.26 139.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tt -67.54 134.03 50.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -121.16 173.34 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.475 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 6.9 t -151.18 175.58 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -126.62 163.97 22.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 20.0 pm0 -101.23 136.12 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -146.83 168.27 21.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.3 p -91.17 172.56 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -58.59 143.21 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.21 -29.57 3.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -174.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.2 m -130.79 122.97 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' N ' HD12 ' A' ' 69' ' ' LEU . . . -74.28 -179.38 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.9 m -161.86 105.14 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD2' ' HB ' ' A' ' 17' ' ' THR . 4.7 mp -101.97 145.63 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -136.12 132.23 35.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.31 167.78 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 13.1 tt0 -120.99 162.61 19.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 11' ' ' PHE . 14.4 mt -136.43 165.3 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 t -66.19 -32.2 73.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 7' ' ' GLY . 9.3 pttm -164.47 148.17 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.0 t -42.97 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.97 152.11 24.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 128.5 16.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 32' ' ' LEU . 11.2 m -114.65 175.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.33 116.83 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CE3' HD23 ' A' ' 64' ' ' LEU . 20.4 m95 -80.95 154.13 27.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 78' ' ' SER . 21.1 mttt -144.81 142.63 30.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 30.2 tttm -113.75 24.42 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 140.32 -144.1 14.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.523 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 54.4 Cg_endo -69.74 4.52 2.14 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -114.89 171.42 7.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -116.45 148.1 41.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.666 ' CD2' ' CE2' ' A' ' 53' ' ' TYR . 9.6 mt -116.0 159.12 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.428 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 1.7 mmp_? -145.97 140.47 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.94 135.77 48.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.61 118.25 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.88 -130.64 10.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -61.17 -35.21 76.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.666 ' CE2' ' CD2' ' A' ' 47' ' ' LEU . 79.7 m-85 -107.29 119.27 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -114.54 104.08 11.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt -95.02 150.92 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -134.05 128.36 34.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 27.3 tp60 -91.81 151.95 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 6.7 t70 -164.5 160.7 20.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.79 101.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.7 p 50.75 35.6 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.779 0.323 . . . . 0.0 111.164 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -153.09 148.33 26.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -137.1 147.77 46.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -131.39 110.69 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.545 HD23 ' CE3' ' A' ' 40' ' ' TRP . 6.5 tp -94.74 142.14 27.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -130.25 111.9 12.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.514 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 21.7 mt -94.14 95.28 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.23 141.09 41.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 73.46 48.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 13.5 mt -53.1 156.43 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.14 152.92 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.0 m -51.68 -30.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.8 -29.27 64.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -34.52 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.82 98.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.04 -119.54 0.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -139.11 111.33 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.532 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 79.3 m-85 -97.25 117.39 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.2 m -108.41 137.97 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -119.09 125.64 49.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.409 ' HE1' ' NZ ' ' A' ' 41' ' ' LYS . 27.9 mtt -101.61 129.24 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.7 t -133.19 100.9 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.96 -86.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -127.06 -40.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -67.18 177.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -166.2 147.94 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -139.84 163.53 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.7 m -134.34 149.72 50.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.31 133.99 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.1 m -97.65 111.4 23.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 91' ' ' THR . 7.5 tp -80.85 153.1 27.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 52.7 m -113.51 127.94 56.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.55 135.77 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -109.76 116.81 32.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 152.41 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.24 156.05 42.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 122.63 9.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.27 137.63 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -52.85 119.74 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' PHE . 33.6 p90 -76.03 117.06 17.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 t -109.82 142.49 41.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -167.47 158.56 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.47 56.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -128.98 154.98 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.91 138.37 7.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.539 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.66 40.93 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 107' ' ' SER . 5.2 t -162.59 109.52 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' GLY . 37.5 t -37.73 115.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 m -130.28 147.12 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.89 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -148.23 119.06 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.52 -137.93 4.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -74.89 108.18 7.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 p -112.32 87.9 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.74 -174.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.0 58.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.248 . . . . 0.0 112.335 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 36' ' ' ALA . . . -49.29 144.31 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.57 136.83 49.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CD1' HD22 ' A' ' 32' ' ' LEU . 54.2 m-85 -57.6 140.87 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 p -117.38 -31.54 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -128.42 121.79 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -42.79 152.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 16' ' ' LYS . 2.0 tt -73.72 128.96 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -112.03 164.12 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.463 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 4.4 t -148.03 177.92 8.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -127.98 163.11 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -98.41 109.98 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.02 168.05 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.4 m -103.12 168.03 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -50.72 136.87 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.11 -33.65 3.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 172.22 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 m -116.44 115.69 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 179.43 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.9 m -156.9 109.04 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mp -110.55 123.06 49.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -120.88 141.49 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.95 160.39 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.73 158.71 19.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 11' ' ' PHE . 36.0 mt -143.04 160.43 40.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 t -61.56 -34.19 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -159.49 141.6 13.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -46.11 112.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.453 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -146.14 155.38 50.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 119.88 6.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.4 m -119.46 170.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -132.97 132.34 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 75.5 m95 -91.28 145.15 24.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -137.15 148.84 46.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -122.26 34.46 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.44 -145.79 17.35 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.09 2.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -115.67 168.73 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -114.53 127.49 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 53' ' ' TYR . 35.6 mt -82.17 178.55 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 5.7 mmm180 -150.62 161.39 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.01 110.12 22.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.55 90.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . 116.51 -142.54 17.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' GLY . 2.0 tpp180 -35.67 -41.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.833 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE2' HD11 ' A' ' 47' ' ' LEU . 70.6 m-85 -98.4 116.94 31.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -120.35 126.8 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.76 156.32 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.903 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -138.78 148.64 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -100.81 155.74 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -161.45 155.19 21.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -38.46 111.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.9 p 39.79 42.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 0.0 111.129 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -161.19 137.53 8.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.3 m -127.5 156.99 41.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -142.94 117.58 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 43.0 tp -111.29 119.94 40.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -117.46 118.46 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.482 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 7.6 mt -100.36 121.09 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -88.66 147.96 24.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.98 54.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.96 158.52 6.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 p -164.2 148.36 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 m -44.94 -31.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.34 91.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' CB ' HG23 ' A' ' 92' ' ' VAL . . . -55.94 101.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.54 -113.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.29 111.82 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.366 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.482 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 91.5 m-85 -97.08 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.469 ' HB2' ' CE ' ' A' ' 80' ' ' MET . 5.5 m -114.08 136.56 52.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.825 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 t -113.13 120.29 40.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 78' ' ' SER . 0.0 OUTLIER -95.63 129.34 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.3 t -133.0 94.69 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.92 -84.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -120.97 -42.17 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -70.77 158.86 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 86' ' ' THR . 26.7 ttp180 -153.53 154.89 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.421 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 14.0 t -142.92 163.53 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -135.7 150.34 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.71 135.93 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -95.73 110.16 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.9 tp -87.12 142.42 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.5 m -111.01 128.5 55.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.422 HG23 ' CB ' ' A' ' 74' ' ' ALA . 60.0 t -120.01 132.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -107.35 111.0 23.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.27 160.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.87 157.46 59.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 129.63 17.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.347 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.03 153.26 40.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -47.18 154.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -73.97 136.08 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.5 p -45.37 150.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.78 -45.41 78.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.71 40.35 99.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 m -43.78 -45.09 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 65.99 171.92 4.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -28.78 24.52 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t 48.75 45.39 21.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -123.97 159.03 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -42.97 119.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -152.12 108.24 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.69 162.0 13.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -83.65 42.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.385 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -116.03 147.75 40.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . . . -158.53 147.47 15.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 161.99 43.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.31 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . . . -83.19 162.01 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -135.31 162.14 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 88.3 m-85 -82.51 136.35 34.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -113.62 -19.08 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ASP . 2.9 mt-30 -134.77 102.15 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -35.89 136.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.56 148.59 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -124.57 151.68 44.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.456 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 2.3 t -154.8 171.33 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HE2' ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -137.13 -177.34 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -115.61 109.83 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' CB ' ' CD1' ' A' ' 69' ' ' LEU . . . -107.01 168.29 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 p -93.62 163.9 13.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -55.13 131.69 45.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.7 -19.54 52.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.68 -174.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.371 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.1 m -123.97 114.52 19.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 178.04 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.464 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 89.1 m -165.84 105.14 0.69 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -113.36 117.94 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -115.08 136.04 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 p -134.6 169.15 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.75 157.84 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.5 mt -136.13 153.17 51.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -65.98 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' A' ' 7' ' ' GLY . 17.7 pttt -166.56 152.94 8.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -48.32 113.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -154.05 147.4 18.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.18 24.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.386 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.73 168.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -142.52 134.27 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.666 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 45.3 m95 -89.34 138.58 31.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -131.03 144.28 51.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -117.19 46.34 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.42 -148.3 17.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 4.18 2.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -117.26 171.67 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -118.85 130.13 55.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.414 ' C ' ' HD3' ' A' ' 48' ' ' ARG . 8.3 mt -90.0 174.41 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 1.4 mpp_? -149.28 144.61 26.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.4 p30 -61.87 156.91 19.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -178.96 35.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.78 -110.13 2.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 54.5 mtm180 -106.41 35.41 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.818 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.423 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 97.5 m-85 -158.54 119.91 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -116.82 120.6 39.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.666 ' CD2' ' CD1' ' A' ' 40' ' ' TRP . 1.9 mp -117.93 141.55 48.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -136.86 121.68 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -96.87 100.35 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.29 75.23 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.27 -98.99 1.04 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.3 p -105.78 9.45 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -125.34 148.8 48.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.3 m -129.54 135.47 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -121.54 124.34 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.9 tp -113.44 132.8 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -121.42 131.71 54.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.73 89.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -62.59 144.85 55.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.92 52.78 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.545 ' CD1' ' CB ' ' A' ' 20' ' ' ALA . 12.3 mt -50.0 145.64 5.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.1 m -145.57 150.73 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -23.33 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.49 60.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -21.19 61.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.5 101.55 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.66 -120.93 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -138.56 114.71 10.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -98.8 119.51 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.78 135.93 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.6 t -120.26 110.34 16.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.5 mtt -96.4 131.64 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 25.3 t -131.48 99.66 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 -84.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -125.39 -41.84 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -66.82 -179.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -166.0 150.47 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -142.0 163.06 33.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -137.65 151.62 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.22 107.75 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.2 m -67.28 121.97 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.0 tp -101.0 138.84 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -112.4 137.32 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.4 t -128.07 123.68 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -96.82 124.88 40.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.93 140.66 47.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt -49.57 151.85 2.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.745 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.1 18.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.58 53.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -96.29 123.26 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -100.46 97.26 8.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.1 t -121.01 156.98 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -108.56 117.15 33.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -104.33 90.59 0.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t -41.8 -58.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.806 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 129.58 72.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.83 23.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.0 p -164.85 148.39 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.9 m -90.6 157.45 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.45 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -88.3 105.72 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m 62.26 27.39 16.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.45 130.44 10.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -66.33 99.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -135.71 132.22 36.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.56 146.04 5.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 169.59 18.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 36' ' ' ALA . . . -78.6 137.71 37.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -119.09 135.55 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 86' ' ' THR . 76.1 m-85 -54.32 145.97 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -117.62 -29.67 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' ASP . 30.6 mm-40 -130.46 118.9 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' GLN . 8.3 p-10 -37.09 151.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 16' ' ' LYS . 3.6 tt -57.96 150.84 19.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HE3' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -118.22 117.04 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.488 ' N ' ' HE3' ' A' ' 16' ' ' LYS . 9.0 t -120.39 158.25 27.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -125.34 168.32 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.5 pt-20 -111.02 111.9 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.25 168.31 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.66 166.96 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.94 145.7 15.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.26 -39.0 2.25 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.46 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.9 m -118.06 131.32 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' N ' HD11 ' A' ' 69' ' ' LEU . . . -91.77 122.42 34.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 m -108.11 117.77 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' C ' ' CD ' ' A' ' 29' ' ' GLN . 4.8 mp -116.79 143.82 45.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.487 ' CD ' ' C ' ' A' ' 28' ' ' LEU . 2.2 mp0 -126.37 138.74 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -141.22 154.74 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -110.95 166.42 11.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 11' ' ' PHE . 29.9 mt -146.06 159.4 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -66.42 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -167.7 159.46 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -50.67 112.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -155.5 150.77 21.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.32 25.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -121.56 176.13 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -147.92 119.71 8.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CD1' HD12 ' A' ' 55' ' ' LEU . 45.9 m95 -83.09 141.34 32.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -134.21 144.2 48.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.454 ' N ' HD12 ' A' ' 47' ' ' LEU . 30.8 tttt -112.97 23.24 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.83 -144.41 14.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.9 2.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.27 167.99 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -113.62 140.22 48.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 42' ' ' LYS . 6.2 mt -110.15 170.43 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 47' ' ' LEU . 2.6 mpt_? -143.17 172.62 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.04 124.4 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.15 116.83 1.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.87 -131.87 10.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -54.87 -42.0 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.345 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -92.66 106.48 18.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -114.81 120.43 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.6 146.25 51.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -126.02 152.19 46.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -115.3 128.6 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -130.71 99.1 4.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.65 -105.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.9 p -108.44 31.97 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -146.88 119.46 8.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.0 m -113.06 139.25 48.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' CG ' ' OE1' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -120.59 147.84 44.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 19.3 tp -126.4 118.38 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -110.01 116.28 31.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 mt -101.3 105.49 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -80.39 152.19 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.02 51.4 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 26' ' ' ALA . 12.2 mt -56.01 163.09 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.6 p -164.7 141.45 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 m -44.05 -31.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.71 -36.33 80.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.43 104.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.9 -123.56 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.13 111.08 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.457 ' CE1' HD21 ' A' ' 90' ' ' LEU . 60.4 m-85 -97.41 116.33 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -104.52 156.09 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -133.06 118.5 18.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -96.21 127.56 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 47.4 t -132.25 96.02 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 -84.61 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -124.55 -43.58 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.65 177.73 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.9 ttp180 -164.07 156.62 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.568 HG21 ' CE2' ' A' ' 11' ' ' PHE . 8.9 t -133.87 162.21 32.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -142.4 138.45 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 15' ' ' LEU . . . -142.37 108.9 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.5 m -63.82 120.75 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 HD21 ' CE1' ' A' ' 77' ' ' TYR . 16.0 tp -88.98 141.45 28.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.3 m -111.69 127.17 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.8 t -122.34 124.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -92.55 118.33 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.77 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 mt -57.2 156.16 15.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 116.37 4.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.91 -45.87 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -133.91 150.32 51.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -111.62 139.15 47.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 32.1 p -59.24 92.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -83.47 179.73 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.53 147.1 9.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.8 p -121.28 121.91 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.63 85.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 156.22 63.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 t -131.3 173.2 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.4 t -88.11 148.38 24.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m -144.58 128.54 17.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -147.31 161.75 40.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.24 73.86 0.5 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -98.27 130.29 44.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -58.75 151.11 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.4 -157.98 23.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 152.25 69.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 139.12 49.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -115.79 160.5 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CD1' HD23 ' A' ' 32' ' ' LEU . 51.3 m-85 -81.45 141.01 34.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 p -115.08 -19.53 10.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -144.47 116.5 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -40.87 158.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 HD23 ' CB ' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -60.3 163.2 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 152.85 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 1.1 t -163.79 171.08 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.99 -179.86 5.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.476 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 30.5 tt0 -107.51 109.26 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HB1' ' CB ' ' A' ' 24' ' ' ALA . . . -117.4 168.87 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 m -102.68 168.6 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.97 140.42 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.8 -28.64 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . . . -59.03 -172.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.2 m -130.27 107.05 8.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . . . -60.65 124.36 20.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 4.4 mp -109.95 120.76 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -119.31 134.56 55.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 p -133.58 164.32 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -117.61 162.96 17.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 11' ' ' PHE . 92.7 mt -144.53 161.14 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -70.2 -20.2 63.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.31 158.75 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.417 ' N ' HG22 ' A' ' 60' ' ' THR . 21.0 t -61.95 95.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.23 151.88 72.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 139.28 40.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 ' CG1' HD11 ' A' ' 32' ' ' LEU . 5.3 m -124.98 167.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -130.7 113.89 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.54 ' CD1' HD23 ' A' ' 55' ' ' LEU . 56.9 m95 -77.66 145.07 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -139.82 150.02 44.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 44.2 tttp -119.55 15.4 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.18 -142.95 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 3.12 2.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.3 166.54 12.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.22 139.47 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -100.69 178.87 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -157.75 164.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.454 ' CB ' HD11 ' A' ' 55' ' ' LEU . 4.1 p-10 -95.35 116.2 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.03 87.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.68 -134.13 10.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -53.01 -41.16 64.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -87.09 111.49 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -108.96 120.61 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.54 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -132.55 123.26 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 57' ' ' GLN . 20.3 ttpt -139.86 157.28 45.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.439 ' N ' ' HG2' ' A' ' 56' ' ' LYS . 6.4 tp60 -89.47 138.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -131.94 62.47 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.64 91.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 35' ' ' VAL . 63.0 p 50.2 25.73 1.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -150.35 116.72 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.7 m -99.56 134.26 42.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -124.05 112.17 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 14.6 tp -98.47 135.96 39.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -122.8 117.39 25.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.0 mt -102.09 87.15 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -63.45 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t0 73.81 52.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.0 mt -52.82 152.89 3.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -156.48 149.66 24.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -47.46 -36.81 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.72 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.15 -25.32 64.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.19 101.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.64 -121.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -138.17 109.42 6.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.538 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 66.0 m-85 -97.3 117.73 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -102.8 133.47 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 17.7 t -110.79 116.91 32.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -94.37 123.06 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 52.9 t -130.45 98.49 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.24 -94.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -119.9 -32.93 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 10' ' ' ARG . 26.7 mt-10 -78.42 172.52 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 19.8 ttp-105 -154.1 151.35 29.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.3 t -137.48 147.85 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.7 p -125.74 155.11 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.459 ' CB ' HD23 ' A' ' 15' ' ' LEU . . . -154.94 109.59 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.2 m -73.16 111.44 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -87.96 135.52 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.46 128.51 54.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.13 125.76 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -97.35 109.36 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.64 163.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.53 155.94 73.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.712 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.66 23.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.23 132.97 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -39.16 -33.52 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -97.05 106.61 18.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 59.3 p -119.92 165.44 14.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 102' ' ' GLY . 19.8 tt0 57.17 42.8 25.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 101' ' ' GLU . . . -34.54 -64.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -89.23 155.32 19.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -131.12 169.7 21.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.83 23.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.224 . . . . 0.0 112.328 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' SER . 3.7 t -113.05 -43.91 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' SER . 65.3 p 37.22 41.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.781 0.324 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -121.16 142.72 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 64.1 m-85 -56.94 145.41 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.0 p -117.85 -34.75 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' ASP . 12.0 mm100 -119.73 106.81 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.8 p-10 -36.2 124.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HG ' ' HB2' ' A' ' 88' ' ' ALA . 8.8 tp -55.27 136.39 48.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 17' ' ' THR . 15.0 tptt -125.9 159.18 33.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.635 HG21 ' O ' ' A' ' 89' ' ' THR . 2.4 t -131.01 176.12 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -123.54 166.42 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 8.8 pt-20 -108.85 110.68 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.19 168.13 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 59.9 p -92.75 157.64 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.25 143.67 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.87 -28.25 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -68.58 -175.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.8 m -122.99 121.13 35.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -79.55 164.26 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.8 m -148.63 108.67 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.826 HD13 HD23 ' A' ' 64' ' ' LEU . 4.5 mp -102.76 140.4 37.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -123.71 142.23 51.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 p -152.15 144.45 24.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 9.5 tt0 -103.59 168.72 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD22 ' SG ' ' A' ' 81' ' ' CYS . 81.1 mt -144.47 161.78 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -67.56 -31.07 70.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.45 165.97 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -59.68 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.15 145.62 21.21 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.4 m -107.9 -176.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -153.05 110.45 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.728 ' CE3' HD22 ' A' ' 64' ' ' LEU . 61.4 m95 -70.58 149.17 47.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.752 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 20.0 mttp -143.76 146.53 33.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.778 ' HB2' HD11 ' A' ' 47' ' ' LEU . 29.3 tttm -116.45 34.83 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.02 -146.12 17.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 3.29 2.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.86 162.58 18.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.717 HG23 ' HE3' ' A' ' 41' ' ' LYS . 1.3 m -104.18 151.2 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.778 HD11 ' HB2' ' A' ' 42' ' ' LYS . 73.1 mt -117.05 175.86 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 12.4 mtm105 -158.48 157.57 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -122.95 117.72 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.718 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -122.56 106.78 11.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -103.85 141.99 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -115.74 105.31 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.67 79.76 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 -100.57 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.7 p -104.66 16.07 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -131.04 150.78 51.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.6 m -131.7 126.51 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -111.82 108.7 18.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.826 HD23 HD13 ' A' ' 28' ' ' LEU . 12.6 tp -92.27 145.88 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.529 ' H ' HD12 ' A' ' 64' ' ' LEU . 37.5 mt-30 -137.14 142.53 42.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mt -127.66 92.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.71 146.53 54.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 61.72 52.66 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.5 mt -49.42 171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.511 ' O ' HG11 ' A' ' 92' ' ' VAL . 2.4 m -167.23 159.18 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -66.94 -24.13 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.02 -15.33 56.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.21 -28.15 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -58.55 103.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.12 -121.77 1.08 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -139.54 110.62 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.542 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.2 m-85 -97.8 116.93 31.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 m -106.94 147.35 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.1 t -125.27 120.2 30.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.752 ' HE1' ' HB2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.18 124.01 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.547 ' SG ' HD22 ' A' ' 32' ' ' LEU . 39.6 t -132.11 103.12 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.55 -94.23 0.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.62 -33.45 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -76.96 167.2 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -156.78 149.52 23.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.4 t -145.91 163.22 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 154.95 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -146.16 124.35 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.635 ' O ' HG21 ' A' ' 17' ' ' THR . 78.9 m -73.87 116.2 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 tp -79.1 141.51 37.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.442 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 24.3 m -104.77 120.25 40.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 90.4 t -121.72 115.7 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -85.13 125.53 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.55 140.18 46.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.508 HH11 HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -132.75 171.5 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 88.1 m-85 -90.44 140.26 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.508 HG22 HH11 ' A' ' 10' ' ' ARG . 23.3 p -111.2 -14.28 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -144.77 113.6 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -41.06 129.23 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.75 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.5 tt -35.45 143.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.711 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.5 tmmm? -114.35 142.97 45.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 89' ' ' THR . 10.0 t -136.23 167.25 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -131.97 159.24 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -99.2 112.05 24.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.54 165.02 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -94.45 170.96 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.21 137.6 56.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.29 -20.75 24.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -175.9 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -121.96 113.92 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.834 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -74.7 131.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.5 m -119.86 117.12 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 64' ' ' LEU . 4.5 mp -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -138.53 143.28 39.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.8 p -142.79 143.27 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.38 160.09 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD22 ' SG ' ' A' ' 81' ' ' CYS . 43.8 mt -141.59 158.65 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -66.93 -28.53 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -165.77 166.68 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.89 114.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.94 148.23 19.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.74 33.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.692 HG12 ' HB2' ' A' ' 81' ' ' CYS . 23.1 m -124.89 -176.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -154.66 112.89 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.773 ' CE3' HD22 ' A' ' 64' ' ' LEU . 69.2 m95 -75.35 138.11 41.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -133.11 144.79 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HB2' HD11 ' A' ' 47' ' ' LEU . 23.8 tttt -113.38 20.06 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.32 -144.3 13.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.75 4.06 2.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.72 177.23 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -121.53 152.42 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.1 mt -119.13 -177.0 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -151.72 -176.92 5.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.921 0.391 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -125.11 117.75 24.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.672 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.3 147.52 51.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -134.78 143.93 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.57 115.42 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -113.86 93.16 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.14 -105.97 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -109.41 22.64 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -139.04 129.25 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.2 157.73 17.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -142.71 114.89 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.773 HD22 ' CE3' ' A' ' 40' ' ' TRP . 44.1 tp -100.73 137.57 38.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -127.41 116.44 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 26' ' ' ALA . 7.2 mt -104.19 93.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -71.69 152.1 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 63.47 53.31 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' A' ' 26' ' ' ALA . 11.4 mt -58.68 156.92 10.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.493 ' C ' HG11 ' A' ' 92' ' ' VAL . 2.0 m -157.14 138.1 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.485 ' N ' HG11 ' A' ' 92' ' ' VAL . 12.9 m -40.7 -33.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.64 95.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' SER . 4.6 m-20 -63.49 -13.87 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -67.86 104.03 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 89' ' ' THR . . . -160.93 -114.93 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 137.52 34.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.47 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 43.7 m-85 -123.91 121.92 36.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 m -111.29 145.7 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -123.88 118.32 26.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -94.45 125.83 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.692 ' HB2' HG12 ' A' ' 38' ' ' VAL . 19.7 t -130.56 95.41 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.25 -83.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -129.58 -39.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 178.19 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -164.05 147.16 9.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.444 HG23 HD12 ' A' ' 15' ' ' LEU . 11.2 t -137.22 146.26 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -118.57 151.43 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.75 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -150.93 109.83 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 75' ' ' GLY . 39.9 m -73.14 120.38 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 91' ' ' THR . 13.0 tp -87.31 153.66 21.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.468 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 19.5 m -118.42 126.23 51.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 45.7 t -117.88 131.66 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -102.39 131.07 49.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.34 141.08 45.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -123.17 138.83 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -59.7 135.67 57.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 p -111.99 -26.68 8.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -124.63 109.28 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.66 136.23 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.1 tt -47.59 134.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.634 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -106.63 152.49 23.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 89' ' ' THR . 11.8 t -146.38 169.47 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.39 164.3 28.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 mt-10 -104.34 120.59 41.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.85 168.33 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.4 p -92.75 167.02 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.515 ' O ' HD21 ' A' ' 95' ' ' LEU . 16.9 mt-10 -58.32 130.99 49.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.25 -17.62 58.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 m -123.84 118.53 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -75.05 175.07 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.8 m -151.15 105.34 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.0 mp -106.28 127.95 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.27 143.17 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.1 p -150.9 139.58 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -101.08 162.08 13.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 ' SG ' ' A' ' 81' ' ' CYS . 18.0 mt -136.23 164.17 28.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.0 p -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' C ' HG22 ' A' ' 60' ' ' THR . 50.2 pttt -172.8 167.75 5.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 t -59.72 106.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.81 146.1 25.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.071 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.55 25.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.66 HG12 ' HB2' ' A' ' 81' ' ' CYS . 30.5 m -123.69 176.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -146.78 117.55 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.919 ' CE3' HD22 ' A' ' 64' ' ' LEU . 60.8 m95 -79.16 137.86 37.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -132.58 142.23 49.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 43.2 tttm -111.42 20.63 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.11 -144.05 12.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.75 4.42 2.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -117.27 166.35 12.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -114.73 137.22 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 42' ' ' LYS . 5.5 mt -103.62 -179.4 3.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -149.38 -179.07 6.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.428 ' C ' HD23 ' A' ' 55' ' ' LEU . 1.7 m -117.12 128.2 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.817 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.73 148.87 45.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -123.67 155.71 37.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -126.73 107.68 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.32 85.47 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.92 -102.94 0.83 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.466 HG22 ' C ' ' A' ' 34' ' ' LYS . 30.4 p -104.46 7.2 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -117.84 156.86 27.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.5 m -144.14 139.84 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.54 115.95 23.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.919 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.3 tp -100.02 117.22 33.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.92 126.83 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.6 mt -103.6 103.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -77.96 140.64 39.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 68.22 47.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.6 mt -49.84 167.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.443 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -165.36 152.6 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.491 HG13 ' CD ' ' A' ' 22' ' ' GLU . 5.7 m -52.3 -30.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.45 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.75 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.38 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.23 -120.28 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.8 118.93 12.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.551 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 52.5 m-85 -104.82 118.69 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -104.95 143.28 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -122.03 116.4 24.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.5 mtt -94.5 122.42 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.66 ' HB2' HG12 ' A' ' 38' ' ' VAL . 37.5 t -128.56 94.24 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.33 -79.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -132.44 -42.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.53 171.01 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.6 ttm105 -154.77 154.18 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.9 t -148.85 138.21 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 m -117.87 151.14 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -138.89 119.05 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.491 ' O ' HG21 ' A' ' 17' ' ' THR . 52.3 m -76.35 112.53 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 18' ' ' LYS . 8.6 tp -92.27 146.51 23.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 m -117.48 125.53 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.443 HG11 ' C ' ' A' ' 70' ' ' SER . 95.3 t -116.49 115.06 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -81.33 117.04 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.55 135.78 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.515 HD21 ' O ' ' A' ' 22' ' ' GLU . 5.9 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -119.52 147.8 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -64.86 143.33 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -115.14 -28.6 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.403 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 32.5 mt-30 -127.04 106.45 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.85 125.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 16' ' ' LYS . 7.7 tt -60.07 144.66 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.589 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.8 mmmm -137.39 169.74 17.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.477 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 8.0 t -137.38 179.77 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -125.25 168.37 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 17.2 pm0 -106.9 133.82 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 24' ' ' ALA . . . -144.68 168.16 20.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -97.01 152.85 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' OE2' HG22 ' A' ' 71' ' ' VAL . 26.0 mt-10 -39.63 132.4 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.73 -36.28 3.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . . . -60.74 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.078 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 m -130.9 122.79 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.19 172.03 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.2 m -153.22 105.04 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.98 HD13 HD23 ' A' ' 64' ' ' LEU . 4.3 mp -98.57 145.34 26.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -129.98 145.19 51.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.2 p -151.19 143.18 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 11.9 tt0 -106.38 155.04 19.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.647 HD22 ' SG ' ' A' ' 81' ' ' CYS . 82.2 mt -130.35 154.93 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -62.35 -32.36 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -162.48 156.67 21.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.516 ' N ' HG22 ' A' ' 60' ' ' THR . 62.3 t -51.96 111.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.73 152.14 31.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 131.56 21.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.617 HG12 ' HB2' ' A' ' 81' ' ' CYS . 20.1 m -125.28 172.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -145.02 116.39 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.58 ' CD1' HD23 ' A' ' 55' ' ' LEU . 56.5 m95 -78.22 146.4 34.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -135.89 147.7 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.723 ' HB2' HD11 ' A' ' 47' ' ' LEU . 55.0 tttt -112.57 17.99 18.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.29 -142.99 11.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -120.35 176.89 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 m -111.23 140.1 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 42' ' ' LYS . 17.9 mt -98.02 177.08 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -153.96 163.49 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.581 ' HB3' HD13 ' A' ' 55' ' ' LEU . 6.7 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.95 120.69 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.627 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -130.15 103.18 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -101.2 158.53 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -125.0 102.82 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.28 87.34 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.57 -98.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 35' ' ' VAL . 22.6 p -110.67 13.53 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -123.61 164.61 18.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.2 m -142.86 125.01 15.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -110.77 116.44 31.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.98 HD23 HD13 ' A' ' 28' ' ' LEU . 12.2 tp -100.88 139.53 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -129.22 139.44 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.83 100.13 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -79.8 140.07 36.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 73.11 49.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.6 mt -52.44 153.36 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 73' ' ' ASP . 2.4 m -154.52 139.51 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.41 HG22 ' OE2' ' A' ' 22' ' ' GLU . 3.5 m -39.4 -33.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.96 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.6 OUTLIER -54.66 -41.17 69.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.916 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -46.18 100.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.16 -128.46 1.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.01 110.86 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.443 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 58.7 m-85 -97.43 120.23 37.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -114.05 141.5 47.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.0 t -122.15 120.63 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.0 mtt -95.82 129.6 43.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.647 ' SG ' HD22 ' A' ' 32' ' ' LEU . 37.4 t -133.14 95.05 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.15 -87.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -125.55 -40.06 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.22 170.98 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -156.33 141.15 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 163.82 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.7 p -146.77 156.31 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.38 126.17 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.423 ' O ' HG21 ' A' ' 17' ' ' THR . 83.6 m -84.6 114.1 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.0 tp -82.47 144.49 30.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.5 m -104.53 127.32 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.916 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 38.4 t -123.98 127.84 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -104.26 122.39 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 151.38 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.919 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.773 0.321 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -115.24 137.33 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -53.62 138.87 33.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 p -113.8 -26.73 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -128.39 113.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -38.64 147.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 16' ' ' LYS . 1.9 tt -71.8 133.3 45.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -118.74 170.59 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.667 HG21 ' HA ' ' A' ' 90' ' ' LEU . 8.7 t -154.16 -179.29 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -126.58 171.84 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 7.8 pt-20 -111.03 115.51 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.02 166.78 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.1 t -92.12 161.13 14.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' HD21 ' A' ' 95' ' ' LEU . 16.0 mt-10 -49.04 131.91 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.24 -26.97 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -175.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 m -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.614 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -85.21 173.43 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -153.06 110.61 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.794 HD13 HD23 ' A' ' 64' ' ' LEU . 4.1 mp -110.29 119.22 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -117.72 138.75 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.55 -179.67 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -128.91 165.12 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.44 HD22 ' SG ' ' A' ' 81' ' ' CYS . 30.2 mt -144.41 154.82 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -61.81 -29.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -163.18 153.57 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.607 HG22 ' H ' ' A' ' 60' ' ' THR . 60.1 t -54.05 114.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.51 152.95 28.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.68 17.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' SG ' ' A' ' 81' ' ' CYS . 3.8 m -128.66 170.14 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.88 132.87 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.853 ' CE3' HD22 ' A' ' 64' ' ' LEU . 30.3 m95 -88.8 145.16 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -137.49 147.35 45.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -113.38 17.38 18.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 146.76 -143.52 11.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.47 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.0 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.39 172.91 7.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -115.67 138.86 50.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.28 177.04 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -150.66 168.85 23.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -118.81 117.91 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.628 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.1 144.81 51.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -131.84 144.24 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 18.1 tp60 -93.95 154.67 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 11.3 m-20 -155.7 165.0 37.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.13 106.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.607 ' H ' HG22 ' A' ' 35' ' ' VAL . 74.6 p 47.11 30.05 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -146.09 142.42 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.5 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.41 127.42 53.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.853 HD22 ' CE3' ' A' ' 40' ' ' TRP . 9.1 tp -117.29 123.63 47.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -114.04 135.59 53.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 mt -115.01 97.69 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -73.72 155.37 39.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 52.34 47.85 23.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.3 mt -47.38 171.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -168.27 143.85 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.42 HG13 ' CG ' ' A' ' 22' ' ' GLU . 6.9 m -49.54 -34.01 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -28.3 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.14 -31.24 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -55.78 106.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.67 -122.67 0.79 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.523 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -135.63 110.17 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.42 119.05 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.43 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 6.8 m -110.57 150.1 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.95 121.85 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.427 ' CE ' ' HE ' ' A' ' 85' ' ' ARG . 47.0 mtt -97.31 121.75 39.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.482 ' SG ' HG12 ' A' ' 38' ' ' VAL . 44.7 t -132.83 107.1 8.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.63 -91.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -127.31 -30.0 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.24 177.78 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' NH2' ' HB2' ' A' ' 78' ' ' SER . 56.5 ttt-85 -166.69 137.88 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.7 t -132.21 163.33 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.9 p -142.44 146.47 34.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -140.84 125.92 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -82.43 114.47 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.667 ' HA ' HG21 ' A' ' 17' ' ' THR . 6.2 tp -83.11 151.81 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.506 HG22 ' NE ' ' A' ' 93' ' ' ARG . 57.6 m -113.57 126.62 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.531 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 92.3 t -127.38 115.36 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.506 ' NE ' HG22 ' A' ' 91' ' ' THR . 0.0 OUTLIER -88.59 127.61 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.68 151.13 39.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 22' ' ' GLU . 5.1 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.545 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.774 0.321 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -144.34 -179.25 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -98.45 134.03 42.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -111.36 -12.55 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 14' ' ' ASP . 7.8 mm100 -143.02 108.81 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.3 m-20 -35.72 124.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 6.3 tp -48.3 128.24 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -104.89 146.63 28.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.614 HG21 ' O ' ' A' ' 89' ' ' THR . 4.4 t -128.08 173.93 9.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.71 154.14 48.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.7 pt-20 -99.23 127.35 45.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.649 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -135.05 167.57 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -94.91 170.78 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.14 136.15 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.69 -23.9 9.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -177.55 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -120.16 133.61 55.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -85.95 179.46 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 m -159.66 109.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.652 HD13 HD23 ' A' ' 64' ' ' LEU . 3.2 mp -111.99 133.69 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -123.18 140.51 52.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 9.8 p -144.98 137.23 25.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -91.62 172.65 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD22 ' SG ' ' A' ' 81' ' ' CYS . 61.5 mt -153.15 150.47 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -63.8 -28.77 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.545 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 6.8 pttt -160.54 151.5 18.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.62 HG22 ' H ' ' A' ' 60' ' ' THR . 48.0 t -55.35 112.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.95 152.13 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.38 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG12 ' SG ' ' A' ' 81' ' ' CYS . 5.6 m -108.28 158.85 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -125.36 131.95 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.835 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 m95 -91.4 144.36 25.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.719 ' HE3' HG23 ' A' ' 46' ' ' THR . 23.1 mttp -136.35 146.37 46.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.678 ' HB2' HD11 ' A' ' 47' ' ' LEU . 26.0 tttt -111.69 19.47 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.18 -142.86 11.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -121.39 170.3 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.719 HG23 ' HE3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -112.27 139.52 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' A' ' 42' ' ' LYS . 93.6 mt -100.86 -177.03 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -156.83 155.23 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.528 ' HB3' HD13 ' A' ' 55' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.362 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -104.36 109.11 20.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.835 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -111.5 118.07 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -114.3 139.61 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 13.2 tp60 -99.68 150.12 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 3.0 m-20 -148.56 165.15 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.34 108.61 0.23 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.62 ' H ' HG22 ' A' ' 35' ' ' VAL . 68.2 p 44.79 31.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.195 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -151.35 154.03 35.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.3 m -138.65 151.68 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -141.39 107.69 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.797 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.9 tp -98.11 145.25 26.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.439 ' H ' HD12 ' A' ' 64' ' ' LEU . 23.7 mt-30 -131.28 141.34 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 mt -121.21 89.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -65.52 152.33 44.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 52.83 54.99 9.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.649 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.6 mt -53.06 171.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.617 ' O ' HG11 ' A' ' 92' ' ' VAL . 32.9 t -167.81 164.4 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.93 -19.21 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.93 -24.54 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.92 -25.05 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.835 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -63.03 102.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.58 -121.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -138.12 108.75 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.537 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.7 m-85 -98.79 120.78 39.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -113.19 145.87 40.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 19.5 t -119.68 121.44 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.554 ' HE1' ' HB2' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -95.83 122.07 38.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.637 ' SG ' HD22 ' A' ' 32' ' ' LEU . 43.9 t -133.12 95.82 3.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.36 -103.81 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -118.14 -19.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.61 176.71 7.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.4 ttp180 -164.99 147.28 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 6.9 t -142.84 154.44 44.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.0 p -135.82 142.17 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 15' ' ' LEU . . . -134.39 96.38 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.614 ' O ' HG21 ' A' ' 17' ' ' THR . 24.1 m -50.59 120.4 4.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 91' ' ' THR . 4.2 tp -87.97 148.95 24.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 94.1 m -111.22 130.51 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.835 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 59.1 t -127.63 125.28 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -97.08 127.22 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -77.27 123.58 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.763 0.316 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -122.59 137.62 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 69.6 m-85 -61.32 135.22 57.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.0 p -111.43 -16.37 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.5 105.71 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.31 127.63 2.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.566 ' HB2' HG21 ' A' ' 86' ' ' THR . 8.0 tt -62.16 137.03 58.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -124.22 -179.6 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 89' ' ' THR . 5.6 t -147.0 -176.17 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -131.51 166.69 20.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.0 pt-20 -108.97 109.95 21.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -117.05 168.06 10.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.1 p -90.32 161.19 15.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -51.85 137.44 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 -4.54 83.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.39 -175.09 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 66' ' ' ILE . 16.3 m -129.74 106.11 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -62.69 -175.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -165.65 109.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD13 HD23 ' A' ' 64' ' ' LEU . 4.8 mp -103.54 152.62 21.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -135.4 138.8 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 p -145.21 139.06 26.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -100.36 163.67 12.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 ' SG ' ' A' ' 81' ' ' CYS . 24.6 mt -139.51 160.08 40.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -67.3 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' C ' HG22 ' A' ' 60' ' ' THR . 10.9 pttm -165.05 163.9 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.92 114.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.34 19.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.01 10.66 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.6 -178.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -155.73 117.92 4.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.967 ' CD1' HD22 ' A' ' 55' ' ' LEU . 42.3 m95 -78.19 150.25 33.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -143.4 153.92 43.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.522 ' CB ' HD11 ' A' ' 47' ' ' LEU . 63.5 tttt -123.16 13.42 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 150.11 -141.35 8.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.2 Cg_endo -69.81 3.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -116.86 166.7 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m -110.3 140.02 44.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.851 HD22 ' CE2' ' A' ' 53' ' ' TYR . 6.8 mt -114.07 158.93 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 28.0 mmm180 -151.8 138.9 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.569 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.851 ' CE2' HD22 ' A' ' 47' ' ' LEU . 57.5 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.874 0.369 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -107.86 96.12 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.967 HD22 ' CD1' ' A' ' 40' ' ' TRP . 0.8 OUTLIER -94.71 123.72 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -120.44 121.67 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.14 132.9 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.53 69.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 -107.76 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.429 HG22 ' C ' ' A' ' 34' ' ' LYS . 14.4 p -99.68 27.69 5.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.775 0.321 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -145.63 155.67 43.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.7 m -139.68 139.57 36.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -122.1 110.85 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.777 HD12 ' N ' ' A' ' 65' ' ' GLN . 3.9 tp -92.16 137.24 32.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.777 ' N ' HD12 ' A' ' 64' ' ' LEU . 22.2 mt-30 -127.49 137.24 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.444 HG23 ' CE1' ' A' ' 53' ' ' TYR . 6.2 mt -124.0 94.74 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -71.59 154.1 41.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.55 54.37 5.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.7 mt -57.67 164.25 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -161.67 160.1 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 71' ' ' VAL . 1.6 m -61.55 -31.61 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.067 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.51 -26.67 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.56 -19.38 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.657 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -66.75 101.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.66 -132.7 2.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -133.14 112.4 11.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.476 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 35.6 m-85 -99.31 122.73 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -107.99 144.45 35.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.75 114.91 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.5 mtt -96.28 128.23 43.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 12.0 t -132.75 97.35 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.35 -84.98 0.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -122.78 -44.05 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.48 166.38 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 86' ' ' THR . 51.8 ttp180 -158.66 153.77 25.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.566 HG21 ' HB2' ' A' ' 15' ' ' LEU . 1.2 t -137.33 159.89 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -136.71 152.03 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.44 118.69 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.54 ' O ' HG21 ' A' ' 17' ' ' THR . 98.5 m -76.28 112.51 12.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.07 138.36 39.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -106.23 132.95 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.657 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 21.2 t -128.1 114.14 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -84.41 109.55 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.96 138.35 57.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.938 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.782 0.325 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -112.77 147.66 36.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -70.35 142.26 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -114.97 -29.13 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ASP . 3.7 mm100 -125.42 109.54 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' GLN . 9.7 p-10 -37.39 146.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.3 tt -59.77 143.04 52.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.677 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.0 tmtt? -117.44 146.84 43.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 89' ' ' THR . 4.9 t -140.56 176.48 8.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.611 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -141.27 170.0 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -110.79 131.08 55.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.799 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -136.81 168.15 20.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.0 p -90.26 168.54 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' OE2' HG22 ' A' ' 71' ' ' VAL . 31.0 mt-10 -59.35 119.52 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.69 -22.47 33.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.495 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . . . -70.42 -176.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.0 m -120.24 127.9 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' HB3' HD12 ' A' ' 66' ' ' ILE . . . -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 m -157.58 108.15 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.54 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.2 mp -110.13 120.63 43.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.49 137.24 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.2 p -140.07 174.43 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -133.46 166.23 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD22 ' SG ' ' A' ' 81' ' ' CYS . 24.4 mt -145.65 154.37 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 t -60.23 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -168.48 155.29 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.469 HG22 ' C ' ' A' ' 59' ' ' GLY . 36.3 t -50.51 109.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 150.42 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.45 40.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.496 HG12 ' CB ' ' A' ' 81' ' ' CYS . 33.5 m -137.39 171.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.23 116.89 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.622 ' CD1' HD23 ' A' ' 55' ' ' LEU . 42.4 m95 -74.19 147.16 42.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -143.77 152.05 40.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 37.9 tttm -121.14 21.41 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.12 -144.16 13.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.88 167.36 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.7 m -114.62 147.91 38.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.407 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.4 mt -114.19 -178.0 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -166.54 157.7 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.874 0.369 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -122.41 117.9 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.622 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -117.78 124.57 48.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -117.04 125.63 51.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -96.34 107.74 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -104.57 80.93 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.469 ' C ' HG22 ' A' ' 35' ' ' VAL . . . 64.65 -97.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 35' ' ' VAL . 76.8 p -111.51 27.02 10.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 111.119 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 14.7 mtm105 -140.99 151.64 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.8 m -132.21 137.51 47.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.92 108.26 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD13 ' HG ' ' A' ' 55' ' ' LEU . 21.2 tp -98.59 131.9 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -120.98 120.69 36.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 26' ' ' ALA . 14.7 mt -97.57 89.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -70.32 137.64 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.28 47.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.799 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.4 mt -47.94 164.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -162.57 145.62 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.433 HG22 ' OE2' ' A' ' 22' ' ' GLU . 4.8 m -50.23 -22.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.34 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -30.35 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -54.8 102.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.3 -121.54 0.75 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.56 112.85 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 90.7 m-85 -97.22 117.99 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -104.62 145.57 30.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.0 mtt -95.71 125.94 40.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.599 ' SG ' HD22 ' A' ' 32' ' ' LEU . 53.8 t -131.87 97.19 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.85 -87.69 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -121.06 -37.7 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.41 174.6 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -165.06 147.2 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.592 HG23 HD12 ' A' ' 15' ' ' LEU . 7.0 t -135.45 163.47 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -145.04 140.68 28.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.566 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -140.75 110.25 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' HG21 ' A' ' 17' ' ' THR . 96.5 m -68.62 124.75 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.6 tp -94.09 149.63 21.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 30.9 m -116.92 121.93 42.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 86.9 t -117.12 127.46 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -93.47 138.81 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.61 141.49 32.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -109.9 160.43 16.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -77.72 141.52 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.3 p -113.98 -23.43 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASP . 23.8 mm-40 -134.72 108.18 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' GLN . 5.9 t0 -36.43 154.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.867 HD22 ' CB ' ' A' ' 88' ' ' ALA . 1.8 tt -59.47 153.52 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.796 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -121.88 153.99 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -168.9 175.8 5.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -149.23 179.96 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.466 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 3.9 pt-20 -113.75 110.33 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.839 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -109.31 168.5 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.086 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -86.4 169.27 13.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.58 126.75 28.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.08 -19.19 55.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -174.81 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 m -127.0 119.12 25.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.562 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -80.82 -175.99 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.421 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 22.4 m -168.23 105.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.684 HD13 HD23 ' A' ' 64' ' ' LEU . 3.6 mp -98.4 120.32 38.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.48 130.0 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.29 156.18 49.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -118.78 161.73 19.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.536 HD22 ' SG ' ' A' ' 81' ' ' CYS . 25.5 mt -138.82 163.9 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -76.78 -25.7 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -147.59 -178.88 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 59' ' ' GLY . 21.4 t -93.59 98.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.34 60.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 114.29 3.65 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG11 HD11 ' A' ' 32' ' ' LEU . 5.1 m -106.65 176.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -146.78 132.11 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.803 ' CD1' HD23 ' A' ' 55' ' ' LEU . 30.6 m95 -87.85 144.89 26.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -133.75 145.06 49.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.84 ' HB2' HD11 ' A' ' 47' ' ' LEU . 40.0 tttp -111.21 20.69 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 142.87 -143.4 12.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.73 3.77 2.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -118.96 174.65 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m -113.17 137.8 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 42' ' ' LYS . 74.6 mt -99.52 173.86 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -150.59 164.75 35.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.747 ' HB3' HD13 ' A' ' 55' ' ' LEU . 1.8 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -101.33 108.26 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.803 HD23 ' CD1' ' A' ' 40' ' ' TRP . 2.2 mp -110.59 133.32 53.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -133.06 131.09 40.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -102.51 108.56 19.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -97.73 72.54 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 71.33 -91.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -113.18 31.72 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -151.03 153.82 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.5 m -131.42 145.07 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -129.51 108.83 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.684 HD23 HD13 ' A' ' 28' ' ' LEU . 28.3 tp -100.66 121.57 41.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 26' ' ' ALA . 6.8 mt -109.91 90.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -69.41 146.23 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.53 53.28 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.839 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.0 mt -52.22 158.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.549 ' C ' HG11 ' A' ' 92' ' ' VAL . 9.5 p -159.18 160.67 35.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -26.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.91 56.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.65 -29.24 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.562 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -60.08 101.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.49 -122.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -139.74 112.75 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -100.02 128.16 46.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.57 148.03 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 t -126.09 113.83 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.6 mtt -95.69 124.89 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.536 ' SG ' HD22 ' A' ' 32' ' ' LEU . 14.9 t -130.7 96.8 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.42 -87.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -125.63 -29.26 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.927 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -86.18 165.6 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -159.16 143.43 15.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.408 HG23 HD12 ' A' ' 15' ' ' LEU . 6.8 t -128.63 151.36 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.4 p -123.9 148.04 47.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.867 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -141.43 105.06 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.6 m -69.87 114.39 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 18' ' ' LYS . 5.7 tp -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -111.94 142.34 44.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.562 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 98.2 t -129.22 119.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -85.29 119.71 25.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -76.37 129.09 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.718 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.81 0.338 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -136.22 138.45 41.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -58.05 141.34 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -117.98 -21.59 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -134.68 123.25 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.44 144.53 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.7 tt -64.74 136.24 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -111.32 171.03 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.441 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 11.5 t -160.16 174.33 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -129.95 169.73 14.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 45.7 tt0 -111.53 109.98 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB2' ' HE3' ' A' ' 18' ' ' LYS . . . -119.07 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 31.0 t -94.53 164.5 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -47.44 139.47 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.34 -17.71 12.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -74.31 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.7 m -121.93 120.48 34.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -80.33 178.09 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -157.36 108.17 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.91 HD13 HD23 ' A' ' 64' ' ' LEU . 1.2 mp -111.3 134.84 52.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -122.47 145.49 48.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 p -144.13 134.24 24.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.87 157.47 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.0 mt -138.84 147.01 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -55.7 -28.06 53.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.718 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 11.0 pttt -162.3 159.32 25.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.59 HG22 ' H ' ' A' ' 60' ' ' THR . 50.0 t -59.97 112.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.46 147.0 19.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.0 10.66 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.77 177.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -140.58 136.5 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.73 ' CE3' HD22 ' A' ' 64' ' ' LEU . 56.6 m95 -95.29 141.12 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -129.98 147.47 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.688 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.6 tttm -114.13 15.97 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.7 -143.16 10.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.8 4.16 2.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -120.23 178.14 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.7 m -118.09 139.45 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.4 mt -100.25 -175.98 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.5 mtm-85 -155.8 167.16 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 49' ' ' ASP . 1.9 p-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.383 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -113.98 117.13 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -128.84 124.17 34.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -113.38 131.13 56.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -92.34 149.58 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -147.87 176.29 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.61 104.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.59 ' H ' HG22 ' A' ' 35' ' ' VAL . 22.5 p 41.25 32.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -152.48 118.35 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.52 155.18 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -137.27 122.48 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.91 HD23 HD13 ' A' ' 28' ' ' LEU . 38.2 tp -106.86 129.61 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -126.6 124.55 40.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.0 mt -105.72 108.6 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.47 145.3 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t0 59.37 52.65 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.4 mt -48.8 177.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -170.63 154.32 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -16.96 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.91 -33.06 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.36 -24.99 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.711 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -64.0 102.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.5 -119.85 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -139.38 110.98 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.95 123.32 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.7 m -117.09 145.1 43.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.5 t -122.46 116.3 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -94.52 128.83 41.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 t -132.89 94.24 3.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.35 -85.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.52 -43.95 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -61.93 170.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -163.53 136.06 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.8 t -130.0 162.03 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.2 p -139.03 149.81 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -141.95 123.44 14.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.067 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 m -83.46 108.83 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -84.43 144.65 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.2 m -112.76 132.01 55.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.711 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 46.6 t -126.17 135.32 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -108.4 138.8 44.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.32 134.99 34.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.735 0.303 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HG2' ' CB ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -134.62 -177.51 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -104.97 139.37 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.0 p -113.62 -21.8 10.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -129.76 109.86 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.79 134.52 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.787 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.6 tt -44.51 146.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.759 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.3 tmmm? -118.1 153.41 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.475 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 7.0 t -150.42 178.68 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.835 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -146.64 157.99 43.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -96.47 126.4 41.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB2' ' NZ ' ' A' ' 18' ' ' LYS . . . -136.54 167.88 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.082 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -97.3 168.16 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -49.86 139.23 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.27 -26.91 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.4 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . . . -64.68 -179.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 m -124.95 121.39 34.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.598 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -87.25 134.48 33.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.1 m -118.45 119.43 34.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.2 mp -116.66 137.41 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -127.23 139.09 53.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -143.53 140.24 30.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -98.55 162.49 13.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.7 mt -136.52 159.38 41.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.433 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 5.3 t -65.95 -27.78 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -164.76 158.72 17.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.8 t -55.18 113.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 154.53 31.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 142.94 49.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 178.08 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -158.4 110.87 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.683 ' CD1' HD13 ' A' ' 55' ' ' LEU . 47.6 m95 -70.99 144.59 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 18.9 mttp -138.42 148.02 43.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -120.11 33.77 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 131.75 -145.72 17.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.7 Cg_endo -69.76 3.11 2.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -116.39 172.47 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 m -118.82 141.82 48.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 41' ' ' LYS . 5.1 mp -110.45 171.16 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -147.89 -176.73 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.464 ' CE1' HG23 ' A' ' 66' ' ' ILE . 4.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -141.12 117.37 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.683 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.74 146.54 51.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -130.85 144.9 51.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -105.82 130.57 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.94 93.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.89 -100.38 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -109.51 34.45 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -143.36 149.25 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -135.24 120.09 18.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -107.15 123.48 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.662 HD22 ' CE3' ' A' ' 40' ' ' TRP . 29.6 tp -111.3 117.76 34.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -116.5 111.28 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.464 HG23 ' CE1' ' A' ' 53' ' ' TYR . 13.3 mt -97.13 105.96 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -81.73 142.22 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t0 72.08 54.71 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.598 HD11 ' HB2' ' A' ' 26' ' ' ALA . 15.2 mt -57.98 166.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -160.75 150.74 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 94' ' ' ALA . 11.6 m -57.19 -20.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.47 -25.22 33.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.33 -27.61 59.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.617 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -58.19 103.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.15 -123.89 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -132.73 112.57 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 83.8 m-85 -97.71 116.17 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.39 140.51 45.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.3 t -119.39 122.23 41.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.9 mtt -97.99 129.07 44.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 t -132.58 96.57 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.81 -81.51 0.64 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.31 -44.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.98 173.55 4.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -162.62 143.8 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.685 HG23 HD12 ' A' ' 15' ' ' LEU . 5.3 t -132.61 147.84 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.9 p -127.15 146.35 50.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.67 108.18 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.6 m -68.32 123.6 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.0 tp -101.87 144.79 30.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.3 m -109.02 140.05 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.617 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 99.1 t -129.82 135.02 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.17 125.23 50.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.433 ' HB2' HG11 ' A' ' 71' ' ' VAL . . . -68.51 148.14 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.92 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.798 0.332 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.484 ' CD ' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -139.58 174.97 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 67.1 m-85 -93.95 137.52 33.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.6 p -112.8 -20.21 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 9.6 mm100 -134.28 110.82 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.72 122.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 6.2 tp -58.99 138.96 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -124.57 -179.44 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.673 HG21 ' O ' ' A' ' 89' ' ' THR . 3.4 t -145.35 179.37 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.563 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.55 161.46 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -103.1 136.26 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -145.16 167.09 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 44.1 t -91.26 163.13 14.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -50.18 143.09 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.86 -11.01 16.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -78.0 -179.1 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.7 m -121.17 119.93 33.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.471 ' N ' HD11 ' A' ' 69' ' ' LEU . . . -74.18 168.51 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -155.69 105.93 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.681 HD13 HD23 ' A' ' 64' ' ' LEU . 5.0 mp -104.33 148.68 26.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -131.33 141.24 49.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.468 ' HB3' HD13 ' A' ' 15' ' ' LEU . 6.8 p -148.35 152.08 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 10.3 tt0 -109.1 169.99 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.6 mt -150.46 153.66 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.484 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 16.0 t -62.93 -29.62 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -162.17 158.92 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 60' ' ' THR . 42.6 t -59.66 114.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.99 151.37 27.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.719 . . . . 0.0 111.065 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 123.35 10.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.223 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -121.9 167.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -138.9 133.9 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.833 ' CE3' HD22 ' A' ' 64' ' ' LEU . 28.9 m95 -91.07 147.67 22.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.02 149.98 49.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 44.3 tttm -118.79 11.81 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 151.43 -141.4 8.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.6 Cg_endo -69.75 2.79 3.21 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -115.37 171.82 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -114.03 143.58 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.7 mt -114.93 150.67 35.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -150.03 148.63 29.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.363 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -120.69 116.04 24.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -125.84 109.47 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -104.81 134.38 48.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 15.5 tp60 -90.32 152.0 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 4.9 t70 -152.34 162.48 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.34 105.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.459 ' H ' HG22 ' A' ' 35' ' ' VAL . 2.4 p 48.82 30.92 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.11 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -152.03 145.23 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -138.93 141.81 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -127.56 114.52 17.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.833 HD22 ' CE3' ' A' ' 40' ' ' TRP . 12.7 tp -99.35 141.83 31.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -133.71 137.43 45.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 26' ' ' ALA . 9.7 mt -115.99 96.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -71.01 134.46 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t0 74.71 53.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 26' ' ' ALA . 17.6 mt -55.58 163.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.56 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -168.28 152.07 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -27.6 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.06 -32.01 56.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.14 -26.02 67.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.801 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -66.14 103.38 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.26 -130.14 1.46 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.443 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -131.27 107.85 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 87.6 m-85 -97.08 116.41 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.27 136.37 49.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -117.04 116.23 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.5 mtt -94.55 125.81 39.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -130.67 95.97 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.13 -97.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -115.93 -31.91 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.18 169.79 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 12.8 ttp-105 -160.39 150.13 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 15' ' ' LEU . 8.9 t -145.8 158.34 43.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.4 p -139.62 152.77 47.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.43 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -144.05 111.55 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.673 ' O ' HG21 ' A' ' 17' ' ' THR . 94.4 m -67.56 114.72 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 18' ' ' LYS . 7.2 tp -79.44 152.74 30.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 88.7 m -115.69 126.98 54.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.801 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.7 t -122.12 112.88 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mmp_? -90.06 122.96 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.61 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.542 ' N ' ' HZ3' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -113.28 137.04 52.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 87.1 m-85 -60.55 143.47 53.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.1 p -115.45 -28.73 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -128.65 112.16 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.07 148.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.727 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 1.8 tt -66.96 129.2 39.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.8 mmmm -110.45 167.38 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 89' ' ' THR . 3.2 t -148.13 178.56 8.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -127.93 170.25 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 6.9 pt-20 -110.24 109.98 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -117.75 165.18 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -92.89 157.91 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -48.0 132.23 15.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.42 6.0 86.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.84 179.7 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -117.5 118.22 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -81.65 168.35 18.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.52 HG22 ' OE1' ' A' ' 29' ' ' GLN . 3.4 m -150.61 114.26 4.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD13 HD23 ' A' ' 64' ' ' LEU . 5.1 mp -106.2 139.65 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.52 ' OE1' HG22 ' A' ' 27' ' ' THR . 2.6 mp0 -122.22 131.37 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.03 157.93 45.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -117.25 167.73 10.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.1 mt -143.39 163.58 32.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -74.52 -22.51 59.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HZ3' ' N ' ' A' ' 9' ' ' ALA . 12.8 pttm -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.4 HG22 ' C ' ' A' ' 59' ' ' GLY . 49.6 t -51.73 115.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.96 153.83 27.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.54 33.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.748 2.299 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.401 HG12 ' HB2' ' A' ' 81' ' ' CYS . 21.5 m -137.92 166.11 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -141.6 121.25 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.914 ' CD1' HD23 ' A' ' 55' ' ' LEU . 26.1 m95 -79.48 149.76 31.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -140.04 149.69 43.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' A' ' 47' ' ' LEU . 24.0 tttt -120.84 17.62 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.27 -143.11 10.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 54.0 Cg_endo -69.73 3.05 2.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.7 170.56 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -111.28 149.61 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 42' ' ' LYS . 7.3 mt -125.24 155.82 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -158.51 158.37 33.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 66' ' ' ILE . 95.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.22 118.64 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.914 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.2 OUTLIER -119.72 108.5 14.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -101.18 143.03 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -112.44 108.31 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -106.46 84.09 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.4 ' C ' HG22 ' A' ' 35' ' ' VAL . . . 66.33 -105.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 55.3 p -104.79 14.92 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -129.8 151.71 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.6 m -129.42 151.68 49.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -134.58 118.1 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD23 HD13 ' A' ' 28' ' ' LEU . 21.4 tp -103.34 139.49 38.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -128.03 127.92 44.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.45 HG23 ' CE1' ' A' ' 53' ' ' TYR . 9.9 mt -113.16 96.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -73.95 152.69 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 56.48 50.94 12.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.7 mt -53.49 177.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 73' ' ' ASP . 1.8 m -174.33 138.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.8 m -43.51 -34.02 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.6 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' SER . 5.1 m-20 -60.6 -38.63 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -45.9 106.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.51 -125.92 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -136.26 114.08 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.577 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 85.1 m-85 -97.11 117.12 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -111.28 142.08 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.7 t -122.68 123.5 41.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -100.99 126.77 47.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 38.5 t -129.32 97.3 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.62 -84.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -125.25 -39.19 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 169.85 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -160.16 146.47 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 13.3 t -134.76 162.12 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.3 p -136.51 149.01 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.727 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.75 126.86 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.668 ' O ' HG21 ' A' ' 17' ' ' THR . 71.8 m -90.45 106.47 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.41 ' HA ' HG21 ' A' ' 17' ' ' THR . 7.7 tp -74.5 148.05 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -111.09 128.97 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.724 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 50.8 t -127.15 119.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -96.85 125.52 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.35 146.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.32 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.467 ' HD3' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -129.41 176.57 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -93.66 138.19 32.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.2 p -113.43 -27.53 7.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.432 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.2 mm-40 -127.3 104.77 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.6 p30 -36.14 129.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.8 tt -44.96 150.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.844 ' N ' HD23 ' A' ' 15' ' ' LEU . 13.9 tptt -136.21 153.61 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.497 HG21 ' O ' ' A' ' 89' ' ' THR . 13.9 t -136.14 -174.96 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.659 ' HE2' ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -132.69 -177.57 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 13.1 tt0 -120.31 109.79 15.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB2' ' HE2' ' A' ' 18' ' ' LYS . . . -122.08 168.38 12.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -102.14 169.62 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -50.96 143.09 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.58 2.77 81.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -85.15 -174.19 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 26' ' ' ALA . 7.7 m -124.66 99.22 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.806 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -40.74 162.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.4 m -164.8 109.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HB3' HD21 ' A' ' 15' ' ' LEU . 5.1 mp -122.17 134.44 54.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -118.49 135.0 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.3 p -134.52 178.87 6.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 5.9 tt0 -134.55 166.05 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.4 mt -147.51 154.13 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.467 ' CB ' ' HD3' ' A' ' 10' ' ' ARG . 35.9 t -66.31 -23.71 66.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -162.44 158.43 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.42 104.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.83 149.31 35.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 129.72 18.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.46 170.86 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -132.8 133.06 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.845 ' CD1' HD23 ' A' ' 55' ' ' LEU . 45.2 m95 -94.56 149.5 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.6 mttt -138.29 147.12 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.804 ' HB2' HD11 ' A' ' 47' ' ' LEU . 44.3 tttm -112.17 15.68 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.81 -142.69 10.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.58 174.47 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -114.45 137.04 52.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 42' ' ' LYS . 83.8 mt -99.05 -178.03 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 2.1 mpp_? -157.11 167.8 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.635 ' HB3' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -124.79 114.88 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.845 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.1 mp -116.65 103.49 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -97.53 118.22 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -89.53 153.42 20.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -157.85 177.8 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.45 103.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p 39.51 38.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -156.26 133.89 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.1 m -127.02 147.24 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -128.02 113.91 16.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.459 HD23 HD13 ' A' ' 28' ' ' LEU . 22.8 tp -96.66 127.5 42.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -122.17 130.4 53.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.803 HD12 ' CB ' ' A' ' 26' ' ' ALA . 6.6 mt -115.18 95.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -67.63 138.24 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 t70 74.92 52.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.806 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -55.97 163.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -171.5 155.64 4.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.77 -31.54 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.07 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.62 -13.4 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.703 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -72.99 100.3 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.63 -120.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.532 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.77 136.7 34.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -118.96 129.89 55.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LYS . 14.8 m -119.17 140.47 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.22 120.15 31.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -98.46 131.36 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.52 95.48 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.77 -87.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -123.25 -37.06 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.69 167.77 17.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -154.67 150.85 28.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 4.2 t -144.45 160.39 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.9 t -139.36 157.71 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.505 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -152.88 125.56 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.497 ' O ' HG21 ' A' ' 17' ' ' THR . 92.6 m -87.55 116.62 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.582 HD11 ' NZ ' ' A' ' 18' ' ' LYS . 3.7 tp -84.32 145.42 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.412 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 10.3 m -113.18 122.7 48.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.703 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 22.0 t -119.55 134.17 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -103.39 125.65 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.0 138.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.794 0.331 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -124.92 141.69 51.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -58.84 139.18 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -113.94 -25.15 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -130.86 111.9 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.6 143.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.733 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.1 tt -53.81 142.75 22.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.725 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.8 tmmm? -108.9 157.39 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 6.0 t -167.55 163.39 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.664 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -136.7 -174.99 3.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -118.57 109.86 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.688 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -112.05 168.95 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -90.35 169.81 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.28 143.08 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.4 -21.21 6.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -173.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.6 m -125.51 112.28 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -64.28 176.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.483 ' N ' ' HE3' ' A' ' 18' ' ' LYS . 55.3 m -168.01 107.69 0.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.797 HD13 HD23 ' A' ' 64' ' ' LEU . 4.9 mp -114.02 124.0 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -116.09 126.71 54.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.0 p -128.89 159.41 35.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -114.29 168.76 9.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.626 HD22 ' SG ' ' A' ' 81' ' ' CYS . 33.8 mt -147.62 156.28 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -61.82 -29.79 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 6.6 pttp -163.19 171.98 15.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 59' ' ' GLY . 85.4 t -67.98 108.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -147.92 156.43 44.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.698 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.83 130.08 18.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.56 HG12 ' HB2' ' A' ' 81' ' ' CYS . 26.6 m -122.86 166.98 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -143.89 119.8 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.937 ' CD1' HD23 ' A' ' 55' ' ' LEU . 38.7 m95 -79.56 144.87 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HE3' HG23 ' A' ' 46' ' ' THR . 21.5 mttt -139.8 147.24 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.4 tttt -112.07 7.81 19.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 155.9 -141.77 8.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.1 Cg_endo -69.84 4.23 2.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.296 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -118.15 170.97 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.456 HG23 ' HE3' ' A' ' 41' ' ' LYS . 1.2 m -116.49 133.85 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 42' ' ' LYS . 9.9 mt -100.35 172.22 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.35 164.49 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.916 0.389 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -123.45 101.12 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.937 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -99.8 141.86 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -134.26 122.86 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -94.52 115.01 27.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.01 85.11 2.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' HG22 ' A' ' 35' ' ' VAL . . . 68.73 -103.25 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.4 p -108.34 22.76 15.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -137.7 158.28 44.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.9 m -138.22 137.6 37.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.71 119.9 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.797 HD23 HD13 ' A' ' 28' ' ' LEU . 16.0 tp -106.44 122.32 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -112.64 128.37 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.583 HD12 ' CB ' ' A' ' 26' ' ' ALA . 5.2 mt -111.4 89.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -62.91 148.01 48.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.86 44.53 4.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.2 mt -42.24 157.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.416 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -158.05 154.2 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 m -56.43 -22.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.06 61.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.469 ' OD2' HG21 ' A' ' 66' ' ' ILE . 1.1 m-20 -67.98 -31.76 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.731 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -58.94 100.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.24 -122.31 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -139.18 109.89 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -99.7 119.11 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.25 139.34 41.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.7 t -120.66 116.02 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.2 mtt -95.47 127.83 41.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.626 ' SG ' HD22 ' A' ' 32' ' ' LEU . 19.9 t -133.0 96.09 3.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.23 -86.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -126.23 -41.51 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.83 173.47 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -163.63 141.11 7.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.1 t -133.61 157.14 46.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.41 150.92 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -144.65 119.33 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.3 m -74.45 115.36 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 18' ' ' LYS . 16.3 tp -91.58 139.87 30.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 89.2 m -111.31 142.65 43.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.731 HG23 ' HB2' ' A' ' 74' ' ' ALA . 47.9 t -134.39 123.03 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -87.64 125.99 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.85 133.14 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.887 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -110.65 135.92 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -56.95 139.91 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.6 p -115.5 -35.36 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.6 mm-40 -116.27 108.78 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -37.26 139.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.5 tt -67.54 134.03 50.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.589 ' N ' HD23 ' A' ' 15' ' ' LEU . 9.8 mmmt -121.16 173.34 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 89' ' ' THR . 6.9 t -151.18 175.58 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.577 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -126.62 163.97 22.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.468 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 20.0 pm0 -101.23 136.12 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -146.83 168.27 21.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.3 p -91.17 172.56 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -58.59 143.21 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.21 -29.57 3.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -174.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.2 m -130.79 122.97 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.28 -179.38 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.9 m -161.86 105.14 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.94 HD13 HD23 ' A' ' 64' ' ' LEU . 4.7 mp -101.97 145.63 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -136.12 132.23 35.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.31 167.78 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 13.1 tt0 -120.99 162.61 19.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD11 HG11 ' A' ' 38' ' ' VAL . 14.4 mt -136.43 165.3 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 t -66.19 -32.2 73.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HA ' HG22 ' A' ' 60' ' ' THR . 9.3 pttm -164.47 148.17 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.454 HG22 ' HA2' ' A' ' 59' ' ' GLY . 61.0 t -42.97 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.97 152.11 24.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 128.5 16.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.403 HG11 HD11 ' A' ' 32' ' ' LEU . 11.2 m -114.65 175.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.33 116.83 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.657 ' CE3' HD22 ' A' ' 64' ' ' LEU . 20.4 m95 -80.95 154.13 27.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.487 ' HD2' ' HE3' ' A' ' 80' ' ' MET . 21.1 mttt -144.81 142.63 30.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 30.2 tttm -113.75 24.42 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 140.32 -144.1 14.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.523 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 54.4 Cg_endo -69.74 4.52 2.14 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -114.89 171.42 7.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -116.45 148.1 41.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.794 HD22 ' CE2' ' A' ' 53' ' ' TYR . 9.6 mt -116.0 159.12 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 1.7 mmp_? -145.97 140.47 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.794 ' CE2' HD22 ' A' ' 47' ' ' LEU . 79.7 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.856 0.36 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -114.54 104.08 11.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 40' ' ' TRP . 1.2 mt -95.02 150.92 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -134.05 128.36 34.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 27.3 tp60 -91.81 151.95 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 6.7 t70 -164.5 160.7 20.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -44.79 101.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 34' ' ' LYS . 65.7 p 50.75 35.6 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.779 0.323 . . . . 0.0 111.164 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -153.09 148.33 26.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -137.1 147.77 46.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -131.39 110.69 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.94 HD23 HD13 ' A' ' 28' ' ' LEU . 6.5 tp -94.74 142.14 27.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.624 ' N ' HD12 ' A' ' 64' ' ' LEU . 14.7 mt-30 -130.25 111.9 12.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.7 mt -94.14 95.28 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.23 141.09 41.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 73.46 48.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.5 mt -53.1 156.43 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.14 152.92 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.0 m -51.68 -30.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.8 -29.27 64.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -34.52 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.82 98.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.04 -119.54 0.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -139.11 111.33 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.539 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 79.3 m-85 -97.25 117.39 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.2 m -108.41 137.97 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -119.09 125.64 49.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.487 ' HE3' ' HD2' ' A' ' 41' ' ' LYS . 27.9 mtt -101.61 129.24 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.7 t -133.19 100.9 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.96 -86.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -127.06 -40.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -67.18 177.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -166.2 147.94 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -139.84 163.53 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.7 m -134.34 149.72 50.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.49 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -143.31 133.99 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.533 ' O ' HG21 ' A' ' 17' ' ' THR . 62.1 m -97.65 111.4 23.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 18' ' ' LYS . 7.5 tp -80.85 153.1 27.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.458 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 52.7 m -113.51 127.94 56.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.55 135.77 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -109.76 116.81 32.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 152.41 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.904 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.756 0.312 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.57 136.83 49.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.697 ' HA ' HD23 ' A' ' 32' ' ' LEU . 54.2 m-85 -57.6 140.87 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 p -117.38 -31.54 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -128.42 121.79 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -42.79 152.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.0 tt -73.72 128.96 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -112.03 164.12 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.468 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 4.4 t -148.03 177.92 8.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -127.98 163.11 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -98.41 109.98 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -118.02 168.05 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.4 m -103.12 168.03 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -50.72 136.87 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.11 -33.65 3.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 172.22 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 66' ' ' ILE . 14.8 m -116.44 115.69 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -69.7 179.43 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.9 m -156.9 109.04 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.74 HD13 HD23 ' A' ' 64' ' ' LEU . 2.0 mp -110.55 123.06 49.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -120.88 141.49 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.95 160.39 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.73 158.71 19.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 11' ' ' PHE . 36.0 mt -143.04 160.43 40.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 t -61.56 -34.19 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HA ' HG22 ' A' ' 60' ' ' THR . 10.0 pttp -159.49 141.6 13.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 35' ' ' VAL . 7.1 p -46.11 112.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -146.14 155.38 50.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.79 119.88 6.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG11 HD11 ' A' ' 32' ' ' LEU . 10.4 m -119.46 170.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -132.97 132.34 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.811 ' CE3' HD22 ' A' ' 64' ' ' LEU . 75.5 m95 -91.28 145.15 24.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.492 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 18.6 mttp -137.15 148.84 46.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -122.26 34.46 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.44 -145.79 17.35 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.09 2.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -115.67 168.73 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -114.53 127.49 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.6 mt -82.17 178.55 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 5.7 mmm180 -150.62 161.39 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.945 0.402 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -120.35 126.8 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.542 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.76 156.32 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.903 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -138.78 148.64 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -100.81 155.74 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -161.45 155.19 21.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -38.46 111.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 34' ' ' LYS . 70.9 p 39.79 42.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 0.0 111.129 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -161.19 137.53 8.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.3 m -127.5 156.99 41.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -142.94 117.58 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.811 HD22 ' CE3' ' A' ' 40' ' ' TRP . 43.0 tp -111.29 119.94 40.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -117.46 118.46 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 25' ' ' THR . 7.6 mt -100.36 121.09 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -88.66 147.96 24.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.98 54.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 26' ' ' ALA . 14.7 mt -57.96 158.52 6.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 p -164.2 148.36 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 m -44.94 -31.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.34 91.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.717 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -55.94 101.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.54 -113.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.29 111.82 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.366 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -97.08 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.614 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 5.5 m -114.08 136.56 52.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.825 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 t -113.13 120.29 40.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.614 ' HE1' ' HB2' ' A' ' 78' ' ' SER . 0.0 OUTLIER -95.63 129.34 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.3 t -133.0 94.69 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.92 -84.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -120.97 -42.17 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -70.77 158.86 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 86' ' ' THR . 26.7 ttp180 -153.53 154.89 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.432 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 14.0 t -142.92 163.53 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -135.7 150.34 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -144.71 135.93 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -95.73 110.16 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.9 tp -87.12 142.42 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.5 m -111.01 128.5 55.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.717 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.0 t -120.01 132.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -107.35 111.0 23.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.27 160.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.765 0.317 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -135.31 162.14 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.446 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 88.3 m-85 -82.51 136.35 34.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -113.62 -19.08 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ASP . 13.9 mt-30 -134.77 102.15 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -35.89 136.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.79 HD22 ' CB ' ' A' ' 88' ' ' ALA . 2.2 tt -50.56 148.59 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.716 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -124.57 151.68 44.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.446 HG21 ' O ' ' A' ' 89' ' ' THR . 2.3 t -154.8 171.33 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -137.13 -177.34 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -115.61 109.83 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.953 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -107.01 168.29 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 p -93.62 163.9 13.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -55.13 131.69 45.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.7 -19.54 52.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.68 -174.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.371 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.1 m -123.97 114.52 19.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -61.79 178.04 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.469 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 89.1 m -165.84 105.14 0.69 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.69 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.8 mp -113.36 117.94 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -115.08 136.04 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 p -134.6 169.15 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.75 157.84 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' SG ' ' A' ' 81' ' ' CYS . 28.5 mt -136.13 153.17 51.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -65.98 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -166.56 152.94 8.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -48.32 113.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.05 147.4 18.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.18 24.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.386 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.73 168.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -142.52 134.27 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.853 ' CD1' HD23 ' A' ' 55' ' ' LEU . 45.3 m95 -89.34 138.58 31.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -131.03 144.28 51.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.861 ' HB2' HD11 ' A' ' 47' ' ' LEU . 44.8 tttt -117.19 46.34 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.42 -148.3 17.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 4.18 2.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -117.26 171.67 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -118.85 130.13 55.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.3 mt -90.0 174.41 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 1.4 mpp_? -149.28 144.61 26.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.527 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.4 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.544 ' CE1' HG23 ' A' ' 66' ' ' ILE . 97.5 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.92 0.391 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -116.82 120.6 39.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.853 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.9 mp -117.93 141.55 48.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -136.86 121.68 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -96.87 100.35 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.29 75.23 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.27 -98.99 1.04 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.3 p -105.78 9.45 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -125.34 148.8 48.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.3 m -129.54 135.47 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -121.54 124.34 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.618 HD13 ' HG ' ' A' ' 55' ' ' LEU . 20.9 tp -113.44 132.8 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -121.42 131.71 54.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.605 HD12 ' CB ' ' A' ' 26' ' ' ALA . 6.0 mt -110.73 89.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -62.59 144.85 55.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.92 52.78 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.953 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.3 mt -50.0 145.64 5.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.534 ' C ' HG11 ' A' ' 92' ' ' VAL . 25.1 m -145.57 150.73 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -23.33 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.49 60.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -21.19 61.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.892 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -68.5 101.55 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.66 -120.93 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -138.56 114.71 10.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -98.8 119.51 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.78 135.93 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.6 t -120.26 110.34 16.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.5 mtt -96.4 131.64 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.489 ' SG ' HD22 ' A' ' 32' ' ' LEU . 25.3 t -131.48 99.66 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 -84.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -125.39 -41.84 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -66.82 -179.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -166.0 150.47 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -142.0 163.06 33.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -137.65 151.62 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.79 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -145.22 107.75 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.446 ' O ' HG21 ' A' ' 17' ' ' THR . 39.2 m -67.28 121.97 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.0 tp -101.0 138.84 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -112.4 137.32 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.892 HG23 ' HB2' ' A' ' 74' ' ' ALA . 39.4 t -128.07 123.68 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -96.82 124.88 40.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.93 140.66 47.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.745 . . . . 0.0 110.918 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -119.09 135.55 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -54.32 145.97 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -117.62 -29.67 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' ASP . 30.6 mm-40 -130.46 118.9 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' GLN . 8.3 p-10 -37.09 151.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.901 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 3.6 tt -57.96 150.84 19.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.891 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -118.22 117.04 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.528 ' HB ' HD23 ' A' ' 28' ' ' LEU . 9.0 t -120.39 158.25 27.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -125.34 168.32 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.5 pt-20 -111.02 111.9 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.25 168.31 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.66 166.96 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.94 145.7 15.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.26 -39.0 2.25 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.46 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.9 m -118.06 131.32 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -91.77 122.42 34.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.401 HG22 ' OE1' ' A' ' 29' ' ' GLN . 8.2 m -108.11 117.77 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD23 ' HB ' ' A' ' 17' ' ' THR . 4.8 mp -116.79 143.82 45.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.487 ' CD ' ' C ' ' A' ' 28' ' ' LEU . 2.2 mp0 -126.37 138.74 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -141.22 154.74 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 12.0 tt0 -110.95 166.42 11.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.467 HD22 ' SG ' ' A' ' 81' ' ' CYS . 29.9 mt -146.06 159.4 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -66.42 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -167.7 159.46 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -50.67 112.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.5 150.77 21.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.32 25.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -121.56 176.13 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -147.92 119.71 8.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.847 ' CE3' HD22 ' A' ' 64' ' ' LEU . 45.9 m95 -83.09 141.34 32.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -134.21 144.2 48.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HB2' HD11 ' A' ' 47' ' ' LEU . 30.8 tttt -112.97 23.24 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 141.83 -144.41 14.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.6 Cg_endo -69.82 3.9 2.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.27 167.99 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -113.62 140.22 48.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 42' ' ' LYS . 6.2 mt -110.15 170.43 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -143.17 172.62 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.867 0.365 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -114.81 120.43 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.6 146.25 51.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -126.02 152.19 46.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -115.3 128.6 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -130.71 99.1 4.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.65 -105.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.9 p -108.44 31.97 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -146.88 119.46 8.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.0 m -113.06 139.25 48.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' CG ' ' OE1' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -120.59 147.84 44.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.847 HD22 ' CE3' ' A' ' 40' ' ' TRP . 19.3 tp -126.4 118.38 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -110.01 116.28 31.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 26' ' ' ALA . 8.1 mt -101.3 105.49 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -80.39 152.19 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.02 51.4 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.2 mt -56.01 163.09 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.6 p -164.7 141.45 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 m -44.05 -31.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.71 -36.33 80.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.637 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -47.43 104.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.9 -123.56 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.13 111.08 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -97.41 116.33 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -104.52 156.09 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -133.06 118.5 18.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -96.21 127.56 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.467 ' SG ' HD22 ' A' ' 32' ' ' LEU . 47.4 t -132.25 96.02 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 -84.61 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -124.55 -43.58 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.65 177.73 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.9 ttp180 -164.07 156.62 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.48 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 8.9 t -133.87 162.21 32.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -142.4 138.45 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.901 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.37 108.9 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.528 ' O ' HG21 ' A' ' 17' ' ' THR . 23.5 m -63.82 120.75 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.0 tp -88.98 141.45 28.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.3 m -111.69 127.17 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.637 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 88.8 t -122.34 124.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -92.55 118.33 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.77 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -115.79 160.5 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CE1' HD21 ' A' ' 32' ' ' LEU . 51.3 m-85 -81.45 141.01 34.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 p -115.08 -19.53 10.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -144.47 116.5 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -40.87 158.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.936 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -60.3 163.2 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.769 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -131.93 152.85 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 1.1 t -163.79 171.08 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.99 -179.86 5.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 30.5 tt0 -107.51 109.26 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB1' ' CB ' ' A' ' 24' ' ' ALA . . . -117.4 168.87 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 m -102.68 168.6 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.97 140.42 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.8 -28.64 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -59.03 -172.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.2 m -130.27 107.05 8.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.041 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -60.65 124.36 20.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.868 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.4 mp -109.95 120.76 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -119.31 134.56 55.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 p -133.58 164.32 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -117.61 162.96 17.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.52 HD22 ' SG ' ' A' ' 81' ' ' CYS . 92.7 mt -144.53 161.14 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -70.2 -20.2 63.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.31 158.75 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.441 ' N ' HG22 ' A' ' 60' ' ' THR . 21.0 t -61.95 95.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.23 151.88 72.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 139.28 40.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG12 ' SG ' ' A' ' 81' ' ' CYS . 5.3 m -124.98 167.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -130.7 113.89 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CD1' HD23 ' A' ' 55' ' ' LEU . 56.9 m95 -77.66 145.07 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' HE3' HG23 ' A' ' 46' ' ' THR . 13.3 mttp -139.82 150.02 44.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.544 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 44.2 tttp -119.55 15.4 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 148.18 -142.95 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.1 Cg_endo -69.79 3.12 2.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.3 166.54 12.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.462 HG23 ' HE3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -109.22 139.47 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -100.69 178.87 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -157.75 164.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.635 ' HB3' HD13 ' A' ' 55' ' ' LEU . 4.1 p-10 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -108.96 120.61 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.861 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -132.55 123.26 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 57' ' ' GLN . 20.3 ttpt -139.86 157.28 45.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 56' ' ' LYS . 6.4 tp60 -89.47 138.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -131.94 62.47 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.64 91.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 35' ' ' VAL . 63.0 p 50.2 25.73 1.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -150.35 116.72 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.7 m -99.56 134.26 42.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -124.05 112.17 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.659 HD13 ' HG ' ' A' ' 55' ' ' LEU . 14.6 tp -98.47 135.96 39.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -122.8 117.39 25.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 26' ' ' ALA . 30.0 mt -102.09 87.15 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -63.45 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t0 73.81 52.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.041 HD21 ' HB2' ' A' ' 26' ' ' ALA . 13.0 mt -52.82 152.89 3.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -156.48 149.66 24.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.53 HG11 ' HB2' ' A' ' 94' ' ' ALA . 6.0 m -47.46 -36.81 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.72 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.15 -25.32 64.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.692 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -65.19 101.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.64 -121.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -138.17 109.42 6.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.544 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 66.0 m-85 -97.3 117.73 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -102.8 133.47 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 17.7 t -110.79 116.91 32.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -94.37 123.06 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.566 ' SG ' HG12 ' A' ' 38' ' ' VAL . 52.9 t -130.45 98.49 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.24 -94.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -119.9 -32.93 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 10' ' ' ARG . 26.7 mt-10 -78.42 172.52 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 19.8 ttp-105 -154.1 151.35 29.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.603 HG23 HD12 ' A' ' 15' ' ' LEU . 11.3 t -137.48 147.85 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.7 p -125.74 155.11 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.936 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -154.94 109.59 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.2 m -73.16 111.44 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -87.96 135.52 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.46 128.51 54.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.692 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.4 t -122.13 125.76 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -97.35 109.36 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.53 ' HB2' HG11 ' A' ' 71' ' ' VAL . . . -52.64 163.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.712 . . . . 0.0 110.948 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -113.5 115.85 28.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 m -132.13 -47.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.53 72.93 0.62 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -167.8 121.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -46.62 154.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.64 155.58 9.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 157.59 59.92 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.41 134.62 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -121.16 142.72 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 64.1 m-85 -56.94 145.41 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.0 p -117.85 -34.75 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' ASP . 12.0 mm100 -119.73 106.81 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.8 p-10 -36.2 124.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HG ' ' HB2' ' A' ' 88' ' ' ALA . 8.8 tp -55.27 136.39 48.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 17' ' ' THR . 15.0 tptt -125.9 159.18 33.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.635 HG21 ' O ' ' A' ' 89' ' ' THR . 2.4 t -131.01 176.12 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -123.54 166.42 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 8.8 pt-20 -108.85 110.68 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.19 168.13 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 59.9 p -92.75 157.64 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.25 143.67 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.87 -28.25 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -68.58 -175.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.8 m -122.99 121.13 35.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -79.55 164.26 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.8 m -148.63 108.67 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.826 HD13 HD23 ' A' ' 64' ' ' LEU . 4.5 mp -102.76 140.4 37.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -123.71 142.23 51.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 p -152.15 144.45 24.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 9.5 tt0 -103.59 168.72 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD22 ' SG ' ' A' ' 81' ' ' CYS . 81.1 mt -144.47 161.78 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -67.56 -31.07 70.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.45 165.97 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -59.68 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.15 145.62 21.21 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.4 m -107.9 -176.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -153.05 110.45 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.728 ' CE3' HD22 ' A' ' 64' ' ' LEU . 61.4 m95 -70.58 149.17 47.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.752 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 20.0 mttp -143.76 146.53 33.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.778 ' HB2' HD11 ' A' ' 47' ' ' LEU . 29.3 tttm -116.45 34.83 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.02 -146.12 17.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 3.29 2.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.86 162.58 18.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.717 HG23 ' HE3' ' A' ' 41' ' ' LYS . 1.3 m -104.18 151.2 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.778 HD11 ' HB2' ' A' ' 42' ' ' LYS . 73.1 mt -117.05 175.86 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 12.4 mtm105 -158.48 157.57 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.75 134.84 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.93 135.98 4.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.11 -100.64 2.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 34.2 mtm180 -121.3 39.45 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 92.9 m-85 -157.54 131.49 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -122.95 117.72 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.718 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -122.56 106.78 11.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -103.85 141.99 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -115.74 105.31 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.67 79.76 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 -100.57 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.7 p -104.66 16.07 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -131.04 150.78 51.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.6 m -131.7 126.51 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -111.82 108.7 18.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.826 HD23 HD13 ' A' ' 28' ' ' LEU . 12.6 tp -92.27 145.88 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.529 ' H ' HD12 ' A' ' 64' ' ' LEU . 37.5 mt-30 -137.14 142.53 42.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mt -127.66 92.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.71 146.53 54.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 61.72 52.66 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.5 mt -49.42 171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.511 ' O ' HG11 ' A' ' 92' ' ' VAL . 2.4 m -167.23 159.18 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -66.94 -24.13 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.02 -15.33 56.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.21 -28.15 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -58.55 103.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.12 -121.77 1.08 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -139.54 110.62 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.542 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.2 m-85 -97.8 116.93 31.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 m -106.94 147.35 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.1 t -125.27 120.2 30.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.752 ' HE1' ' HB2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.18 124.01 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.547 ' SG ' HD22 ' A' ' 32' ' ' LEU . 39.6 t -132.11 103.12 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.55 -94.23 0.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.62 -33.45 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -76.96 167.2 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -156.78 149.52 23.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.4 t -145.91 163.22 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 154.95 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -146.16 124.35 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.635 ' O ' HG21 ' A' ' 17' ' ' THR . 78.9 m -73.87 116.2 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 tp -79.1 141.51 37.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.442 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 24.3 m -104.77 120.25 40.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 90.4 t -121.72 115.7 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -85.13 125.53 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.55 140.18 46.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mt -54.12 152.41 11.03 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 124.99 11.63 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -40.81 -60.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -123.74 164.38 19.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' THR . 20.4 m-85 -97.86 107.57 20.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 99' ' ' PHE . 13.9 t -37.06 137.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.0 -42.33 33.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.88 -156.42 19.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.9 m -147.62 161.95 40.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -106.25 146.05 16.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 126.05 12.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 m -60.58 168.44 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.6 p -116.7 163.24 16.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.489 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m 48.06 42.23 16.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.399 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -161.83 141.2 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.06 -118.81 3.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -129.4 93.85 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -79.62 175.81 10.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.46 -94.73 0.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 144.93 55.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.45 154.49 37.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.508 HH11 HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -132.75 171.5 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 88.1 m-85 -90.44 140.26 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.508 HG22 HH11 ' A' ' 10' ' ' ARG . 23.3 p -111.2 -14.28 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -144.77 113.6 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -41.06 129.23 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.75 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.5 tt -35.45 143.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.711 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.5 tmmm? -114.35 142.97 45.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 89' ' ' THR . 10.0 t -136.23 167.25 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -131.97 159.24 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -99.2 112.05 24.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.54 165.02 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -94.45 170.96 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.21 137.6 56.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.29 -20.75 24.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -175.9 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -121.96 113.92 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.834 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -74.7 131.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.5 m -119.86 117.12 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 64' ' ' LEU . 4.5 mp -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -138.53 143.28 39.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.8 p -142.79 143.27 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.38 160.09 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD22 ' SG ' ' A' ' 81' ' ' CYS . 43.8 mt -141.59 158.65 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -66.93 -28.53 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -165.77 166.68 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.89 114.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.94 148.23 19.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.74 33.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.692 HG12 ' HB2' ' A' ' 81' ' ' CYS . 23.1 m -124.89 -176.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -154.66 112.89 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.773 ' CE3' HD22 ' A' ' 64' ' ' LEU . 69.2 m95 -75.35 138.11 41.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -133.11 144.79 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HB2' HD11 ' A' ' 47' ' ' LEU . 23.8 tttt -113.38 20.06 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.32 -144.3 13.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.75 4.06 2.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.72 177.23 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -121.53 152.42 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.1 mt -119.13 -177.0 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -151.72 -176.92 5.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -109.99 106.15 15.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.42 90.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.24 -142.39 15.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -43.32 -34.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -99.39 118.05 35.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -125.11 117.75 24.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.672 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.3 147.52 51.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -134.78 143.93 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.57 115.42 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -113.86 93.16 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.14 -105.97 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -109.41 22.64 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -139.04 129.25 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.2 157.73 17.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -142.71 114.89 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.773 HD22 ' CE3' ' A' ' 40' ' ' TRP . 44.1 tp -100.73 137.57 38.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -127.41 116.44 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 26' ' ' ALA . 7.2 mt -104.19 93.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -71.69 152.1 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 63.47 53.31 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' A' ' 26' ' ' ALA . 11.4 mt -58.68 156.92 10.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.493 ' C ' HG11 ' A' ' 92' ' ' VAL . 2.0 m -157.14 138.1 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.485 ' N ' HG11 ' A' ' 92' ' ' VAL . 12.9 m -40.7 -33.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.64 95.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' SER . 4.6 m-20 -63.49 -13.87 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -67.86 104.03 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 89' ' ' THR . . . -160.93 -114.93 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 137.52 34.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.47 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 43.7 m-85 -123.91 121.92 36.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 m -111.29 145.7 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -123.88 118.32 26.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -94.45 125.83 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.692 ' HB2' HG12 ' A' ' 38' ' ' VAL . 19.7 t -130.56 95.41 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.25 -83.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -129.58 -39.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 178.19 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -164.05 147.16 9.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.444 HG23 HD12 ' A' ' 15' ' ' LEU . 11.2 t -137.22 146.26 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -118.57 151.43 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.75 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -150.93 109.83 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 75' ' ' GLY . 39.9 m -73.14 120.38 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 91' ' ' THR . 13.0 tp -87.31 153.66 21.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.468 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 19.5 m -118.42 126.23 51.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 45.7 t -117.88 131.66 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -102.39 131.07 49.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.34 141.08 45.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 mt -51.21 155.73 2.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.94 2.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.78 168.88 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -116.96 143.2 45.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -104.17 -66.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.9 p -139.87 159.19 42.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -106.3 -175.77 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.46 114.52 3.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' GLY . 29.8 t -116.66 102.58 9.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.959 0.409 . . . . 0.0 110.881 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' SER . . . -35.6 146.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 150.34 67.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -100.85 -47.42 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 t 64.14 42.31 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -130.33 -46.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -153.25 138.85 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.49 95.91 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -65.43 170.96 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -135.29 154.7 51.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.82 -170.36 13.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 163.55 37.84 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.73 2.287 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.77 145.31 47.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.039 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -123.17 138.83 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -59.7 135.67 57.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 p -111.99 -26.68 8.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -124.63 109.28 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.66 136.23 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.1 tt -47.59 134.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.634 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -106.63 152.49 23.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 89' ' ' THR . 11.8 t -146.38 169.47 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.39 164.3 28.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 mt-10 -104.34 120.59 41.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.85 168.33 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.4 p -92.75 167.02 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' O ' HD21 ' A' ' 95' ' ' LEU . 16.9 mt-10 -58.32 130.99 49.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.25 -17.62 58.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 m -123.84 118.53 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -75.05 175.07 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.8 m -151.15 105.34 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.0 mp -106.28 127.95 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.27 143.17 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.1 p -150.9 139.58 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -101.08 162.08 13.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 ' SG ' ' A' ' 81' ' ' CYS . 18.0 mt -136.23 164.17 28.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.0 p -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' C ' HG22 ' A' ' 60' ' ' THR . 50.2 pttt -172.8 167.75 5.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 t -59.72 106.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.81 146.1 25.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.071 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.55 25.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.66 HG12 ' HB2' ' A' ' 81' ' ' CYS . 30.5 m -123.69 176.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -146.78 117.55 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.919 ' CE3' HD22 ' A' ' 64' ' ' LEU . 60.8 m95 -79.16 137.86 37.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -132.58 142.23 49.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 43.2 tttm -111.42 20.63 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.11 -144.05 12.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.75 4.42 2.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -117.27 166.35 12.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -114.73 137.22 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 42' ' ' LYS . 5.5 mt -103.62 -179.4 3.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -149.38 -179.07 6.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.47 116.34 31.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.16 91.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.72 -140.23 15.08 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -42.52 -36.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -105.27 112.09 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.428 ' C ' HD23 ' A' ' 55' ' ' LEU . 1.7 m -117.12 128.2 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.817 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.73 148.87 45.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -123.67 155.71 37.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -126.73 107.68 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.32 85.47 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.92 -102.94 0.83 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.466 HG22 ' C ' ' A' ' 34' ' ' LYS . 30.4 p -104.46 7.2 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -117.84 156.86 27.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.5 m -144.14 139.84 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.54 115.95 23.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.919 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.3 tp -100.02 117.22 33.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.92 126.83 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.6 mt -103.6 103.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -77.96 140.64 39.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 68.22 47.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.6 mt -49.84 167.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.443 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -165.36 152.6 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.491 HG13 ' CD ' ' A' ' 22' ' ' GLU . 5.7 m -52.3 -30.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.45 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.75 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.38 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.23 -120.28 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.8 118.93 12.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.551 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 52.5 m-85 -104.82 118.69 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -104.95 143.28 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -122.03 116.4 24.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.5 mtt -94.5 122.42 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.66 ' HB2' HG12 ' A' ' 38' ' ' VAL . 37.5 t -128.56 94.24 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.33 -79.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -132.44 -42.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.53 171.01 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.6 ttm105 -154.77 154.18 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.9 t -148.85 138.21 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 m -117.87 151.14 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -138.89 119.05 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.491 ' O ' HG21 ' A' ' 17' ' ' THR . 52.3 m -76.35 112.53 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 18' ' ' LYS . 8.6 tp -92.27 146.51 23.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 m -117.48 125.53 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.443 HG11 ' C ' ' A' ' 70' ' ' SER . 95.3 t -116.49 115.06 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -81.33 117.04 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.55 135.78 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.515 HD21 ' O ' ' A' ' 22' ' ' GLU . 5.9 mt -46.62 153.58 0.76 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 112.16 3.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.53 170.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -105.92 36.27 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.24 141.78 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.1 p -76.93 138.14 39.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -97.66 -54.28 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.75 -164.48 25.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.1 m -143.04 156.16 44.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.69 84.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 179.61 3.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.8 m -113.65 170.31 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.3 t -137.22 156.36 48.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -146.73 142.15 27.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -122.67 34.34 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.18 77.8 0.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 m -87.09 -48.5 8.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -94.59 -54.42 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.57 -90.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.96 68.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 135.14 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -119.52 147.8 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -64.86 143.33 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -115.14 -28.6 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.403 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 32.5 mt-30 -127.04 106.45 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.85 125.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 16' ' ' LYS . 7.7 tt -60.07 144.66 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.8 mmmm -137.39 169.74 17.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.477 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 8.0 t -137.38 179.77 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -125.25 168.37 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 17.2 pm0 -106.9 133.82 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 24' ' ' ALA . . . -144.68 168.16 20.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -97.01 152.85 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' OE2' HG22 ' A' ' 71' ' ' VAL . 26.0 mt-10 -39.63 132.4 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.73 -36.28 3.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . . . -60.74 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.078 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 m -130.9 122.79 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.19 172.03 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.2 m -153.22 105.04 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.98 HD13 HD23 ' A' ' 64' ' ' LEU . 4.3 mp -98.57 145.34 26.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -129.98 145.19 51.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.2 p -151.19 143.18 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 11.9 tt0 -106.38 155.04 19.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD22 ' SG ' ' A' ' 81' ' ' CYS . 82.2 mt -130.35 154.93 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -62.35 -32.36 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -162.48 156.67 21.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.516 ' N ' HG22 ' A' ' 60' ' ' THR . 62.3 t -51.96 111.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.73 152.14 31.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 131.56 21.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.617 HG12 ' HB2' ' A' ' 81' ' ' CYS . 20.1 m -125.28 172.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -145.02 116.39 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.58 ' CD1' HD23 ' A' ' 55' ' ' LEU . 56.5 m95 -78.22 146.4 34.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -135.89 147.7 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.723 ' HB2' HD11 ' A' ' 47' ' ' LEU . 55.0 tttt -112.57 17.99 18.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.29 -142.99 11.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -120.35 176.89 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 m -111.23 140.1 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 42' ' ' LYS . 17.9 mt -98.02 177.08 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -153.96 163.49 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.581 ' HB3' HD13 ' A' ' 55' ' ' LEU . 6.7 p-10 -90.54 114.27 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.89 164.92 11.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.62 -96.64 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -124.09 39.42 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -151.07 130.89 13.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.95 120.69 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.627 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -130.15 103.18 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -101.2 158.53 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -125.0 102.82 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.28 87.34 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.57 -98.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 35' ' ' VAL . 22.6 p -110.67 13.53 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -123.61 164.61 18.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.2 m -142.86 125.01 15.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -110.77 116.44 31.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.98 HD23 HD13 ' A' ' 28' ' ' LEU . 12.2 tp -100.88 139.53 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -129.22 139.44 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.83 100.13 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -79.8 140.07 36.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 73.11 49.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.6 mt -52.44 153.36 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 73' ' ' ASP . 2.4 m -154.52 139.51 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.41 HG22 ' OE2' ' A' ' 22' ' ' GLU . 3.5 m -39.4 -33.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.96 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.6 OUTLIER -54.66 -41.17 69.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.916 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -46.18 100.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.16 -128.46 1.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.01 110.86 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.443 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 58.7 m-85 -97.43 120.23 37.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -114.05 141.5 47.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.0 t -122.15 120.63 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.0 mtt -95.82 129.6 43.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.647 ' SG ' HD22 ' A' ' 32' ' ' LEU . 37.4 t -133.14 95.05 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.15 -87.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -125.55 -40.06 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.22 170.98 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -156.33 141.15 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 163.82 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.7 p -146.77 156.31 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.38 126.17 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.423 ' O ' HG21 ' A' ' 17' ' ' THR . 83.6 m -84.6 114.1 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.0 tp -82.47 144.49 30.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.5 m -104.53 127.32 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.916 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 38.4 t -123.98 127.84 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -104.26 122.39 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 151.38 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.87 157.17 8.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 128.96 16.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.67 110.19 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -65.1 -40.3 94.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 101' ' ' GLU . 24.7 t80 -51.52 95.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 100' ' ' THR . 4.4 t -64.54 73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -40.05 113.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.94 -103.82 0.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.5 m -116.31 126.39 53.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.69 -93.83 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.05 39.21 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.668 2.245 . . . . 0.0 112.277 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 107' ' ' SER . 46.1 t -74.5 119.31 18.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 106' ' ' SER . 18.5 m 34.56 48.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -121.91 154.7 36.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -127.84 160.47 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.15 -172.91 27.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -119.48 125.64 49.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -173.13 154.35 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.29 -167.12 32.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 162.7 41.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -77.72 132.4 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -115.24 137.33 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -53.62 138.87 33.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 p -113.8 -26.73 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -128.39 113.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -38.64 147.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 16' ' ' LYS . 1.9 tt -71.8 133.3 45.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -118.74 170.59 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.667 HG21 ' HA ' ' A' ' 90' ' ' LEU . 8.7 t -154.16 -179.29 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -126.58 171.84 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 7.8 pt-20 -111.03 115.51 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.02 166.78 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.1 t -92.12 161.13 14.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' HD21 ' A' ' 95' ' ' LEU . 16.0 mt-10 -49.04 131.91 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.24 -26.97 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -175.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 m -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.614 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -85.21 173.43 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -153.06 110.61 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.794 HD13 HD23 ' A' ' 64' ' ' LEU . 4.1 mp -110.29 119.22 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -117.72 138.75 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.55 -179.67 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -128.91 165.12 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD22 ' SG ' ' A' ' 81' ' ' CYS . 30.2 mt -144.41 154.82 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -61.81 -29.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -163.18 153.57 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.607 HG22 ' H ' ' A' ' 60' ' ' THR . 60.1 t -54.05 114.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.51 152.95 28.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.68 17.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' SG ' ' A' ' 81' ' ' CYS . 3.8 m -128.66 170.14 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.88 132.87 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.853 ' CE3' HD22 ' A' ' 64' ' ' LEU . 30.3 m95 -88.8 145.16 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -137.49 147.35 45.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -113.38 17.38 18.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 146.76 -143.52 11.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.47 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.0 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.39 172.91 7.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -115.67 138.86 50.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.28 177.04 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -150.66 168.85 23.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.84 113.15 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.33 -67.45 0.25 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.01 -126.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 49.6 mtp180 -80.96 42.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 95.8 m-85 -161.1 116.04 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -118.81 117.91 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.628 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.1 144.81 51.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -131.84 144.24 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 18.1 tp60 -93.95 154.67 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 11.3 m-20 -155.7 165.0 37.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.13 106.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.607 ' H ' HG22 ' A' ' 35' ' ' VAL . 74.6 p 47.11 30.05 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -146.09 142.42 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.5 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.41 127.42 53.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.853 HD22 ' CE3' ' A' ' 40' ' ' TRP . 9.1 tp -117.29 123.63 47.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -114.04 135.59 53.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 mt -115.01 97.69 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -73.72 155.37 39.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 52.34 47.85 23.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.3 mt -47.38 171.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -168.27 143.85 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.42 HG13 ' CG ' ' A' ' 22' ' ' GLU . 6.9 m -49.54 -34.01 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -28.3 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.14 -31.24 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -55.78 106.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.67 -122.67 0.79 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.523 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -135.63 110.17 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.42 119.05 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.43 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 6.8 m -110.57 150.1 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.95 121.85 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.427 ' CE ' ' HE ' ' A' ' 85' ' ' ARG . 47.0 mtt -97.31 121.75 39.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.482 ' SG ' HG12 ' A' ' 38' ' ' VAL . 44.7 t -132.83 107.1 8.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.63 -91.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -127.31 -30.0 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.24 177.78 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' NH2' ' HB2' ' A' ' 78' ' ' SER . 56.5 ttt-85 -166.69 137.88 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.7 t -132.21 163.33 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.9 p -142.44 146.47 34.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -140.84 125.92 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -82.43 114.47 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.667 ' HA ' HG21 ' A' ' 17' ' ' THR . 6.2 tp -83.11 151.81 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.506 HG22 ' NE ' ' A' ' 93' ' ' ARG . 57.6 m -113.57 126.62 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.531 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 92.3 t -127.38 115.36 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.506 ' NE ' HG22 ' A' ' 91' ' ' THR . 0.0 OUTLIER -88.59 127.61 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.68 151.13 39.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 22' ' ' GLU . 5.1 mt -62.26 152.23 79.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.75 2.63 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.736 2.29 . . . . 0.0 112.338 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.04 162.96 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 166.38 13.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -157.96 124.81 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.1 m -64.16 94.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.64 166.65 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.97 -101.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.1 p -120.89 163.68 17.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.59 172.29 22.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.88 69.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -160.4 174.94 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -75.89 160.19 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.798 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -91.55 167.78 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -123.5 46.62 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.05 150.57 22.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -114.86 160.75 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.353 . . . . 0.0 110.856 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -129.84 45.71 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . . . -173.47 -97.81 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 169.33 19.24 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.545 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -110.31 -179.09 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -144.34 -179.25 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -98.45 134.03 42.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -111.36 -12.55 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 14' ' ' ASP . 7.8 mm100 -143.02 108.81 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.3 m-20 -35.72 124.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 6.3 tp -48.3 128.24 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -104.89 146.63 28.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.614 HG21 ' O ' ' A' ' 89' ' ' THR . 4.4 t -128.08 173.93 9.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.71 154.14 48.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.7 pt-20 -99.23 127.35 45.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.649 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -135.05 167.57 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -94.91 170.78 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.14 136.15 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.69 -23.9 9.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -177.55 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -120.16 133.61 55.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -85.95 179.46 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 m -159.66 109.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.652 HD13 HD23 ' A' ' 64' ' ' LEU . 3.2 mp -111.99 133.69 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -123.18 140.51 52.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 9.8 p -144.98 137.23 25.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -91.62 172.65 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD22 ' SG ' ' A' ' 81' ' ' CYS . 61.5 mt -153.15 150.47 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -63.8 -28.77 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.545 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 6.8 pttt -160.54 151.5 18.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.62 HG22 ' H ' ' A' ' 60' ' ' THR . 48.0 t -55.35 112.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.95 152.13 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.38 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG12 ' SG ' ' A' ' 81' ' ' CYS . 5.6 m -108.28 158.85 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -125.36 131.95 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.835 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 m95 -91.4 144.36 25.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.719 ' HE3' HG23 ' A' ' 46' ' ' THR . 23.1 mttp -136.35 146.37 46.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.678 ' HB2' HD11 ' A' ' 47' ' ' LEU . 26.0 tttt -111.69 19.47 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.18 -142.86 11.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -121.39 170.3 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.719 HG23 ' HE3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -112.27 139.52 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' A' ' 42' ' ' LYS . 93.6 mt -100.86 -177.03 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -156.83 155.23 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.528 ' HB3' HD13 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -82.2 123.95 29.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.4 -63.7 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.24 -136.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -81.05 43.2 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -150.81 110.96 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -104.36 109.11 20.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.835 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -111.5 118.07 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -114.3 139.61 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 13.2 tp60 -99.68 150.12 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 3.0 m-20 -148.56 165.15 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.34 108.61 0.23 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.62 ' H ' HG22 ' A' ' 35' ' ' VAL . 68.2 p 44.79 31.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.195 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -151.35 154.03 35.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.3 m -138.65 151.68 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -141.39 107.69 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.797 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.9 tp -98.11 145.25 26.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' H ' HD12 ' A' ' 64' ' ' LEU . 23.7 mt-30 -131.28 141.34 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 mt -121.21 89.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -65.52 152.33 44.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 52.83 54.99 9.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.649 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.6 mt -53.06 171.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.617 ' O ' HG11 ' A' ' 92' ' ' VAL . 32.9 t -167.81 164.4 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.93 -19.21 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.93 -24.54 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.92 -25.05 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.835 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -63.03 102.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.58 -121.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -138.12 108.75 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.537 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.7 m-85 -98.79 120.78 39.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -113.19 145.87 40.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 19.5 t -119.68 121.44 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.554 ' HE1' ' HB2' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -95.83 122.07 38.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.637 ' SG ' HD22 ' A' ' 32' ' ' LEU . 43.9 t -133.12 95.82 3.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.36 -103.81 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -118.14 -19.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.61 176.71 7.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.4 ttp180 -164.99 147.28 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 6.9 t -142.84 154.44 44.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.0 p -135.82 142.17 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 15' ' ' LEU . . . -134.39 96.38 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.614 ' O ' HG21 ' A' ' 17' ' ' THR . 24.1 m -50.59 120.4 4.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 91' ' ' THR . 4.2 tp -87.97 148.95 24.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 94.1 m -111.22 130.51 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.835 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 59.1 t -127.63 125.28 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -97.08 127.22 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -77.27 123.58 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.4 mt -37.21 154.48 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 151.39 68.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.97 -55.28 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -95.16 161.73 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -129.33 86.84 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.7 p -39.17 143.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.096 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -165.67 105.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.2 -134.46 4.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -97.04 175.03 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.5 -178.17 50.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.63 69.02 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.7 2.266 . . . . 0.0 112.382 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.3 t -117.04 -51.52 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -39.8 -53.12 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -105.83 -43.73 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -117.01 165.01 13.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.05 170.96 13.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.536 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -75.38 86.14 2.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 p -159.5 117.58 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.0 -161.27 33.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -173.33 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.256 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.18 150.69 28.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -122.59 137.62 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 69.6 m-85 -61.32 135.22 57.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.0 p -111.43 -16.37 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.5 105.71 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.31 127.63 2.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.566 ' HB2' HG21 ' A' ' 86' ' ' THR . 8.0 tt -62.16 137.03 58.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -124.22 -179.6 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 89' ' ' THR . 5.6 t -147.0 -176.17 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -131.51 166.69 20.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.0 pt-20 -108.97 109.95 21.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -117.05 168.06 10.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.1 p -90.32 161.19 15.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -51.85 137.44 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 -4.54 83.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.39 -175.09 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 66' ' ' ILE . 16.3 m -129.74 106.11 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -62.69 -175.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -165.65 109.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD13 HD23 ' A' ' 64' ' ' LEU . 4.8 mp -103.54 152.62 21.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -135.4 138.8 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 p -145.21 139.06 26.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -100.36 163.67 12.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 ' SG ' ' A' ' 81' ' ' CYS . 24.6 mt -139.51 160.08 40.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -67.3 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' C ' HG22 ' A' ' 60' ' ' THR . 10.9 pttm -165.05 163.9 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.92 114.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.34 19.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.01 10.66 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.6 -178.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -155.73 117.92 4.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.967 ' CD1' HD22 ' A' ' 55' ' ' LEU . 42.3 m95 -78.19 150.25 33.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -143.4 153.92 43.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.522 ' CB ' HD11 ' A' ' 47' ' ' LEU . 63.5 tttt -123.16 13.42 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 150.11 -141.35 8.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.2 Cg_endo -69.81 3.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -116.86 166.7 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m -110.3 140.02 44.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.851 HD22 ' CE2' ' A' ' 53' ' ' TYR . 6.8 mt -114.07 158.93 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 28.0 mmm180 -151.8 138.9 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.569 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -49.23 114.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.01 -66.86 0.2 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.58 -128.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -83.93 36.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.851 ' CE2' HD22 ' A' ' 47' ' ' LEU . 57.5 m-85 -146.3 121.6 10.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -107.86 96.12 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.967 HD22 ' CD1' ' A' ' 40' ' ' TRP . 0.8 OUTLIER -94.71 123.72 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -120.44 121.67 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.14 132.9 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.53 69.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 -107.76 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.429 HG22 ' C ' ' A' ' 34' ' ' LYS . 14.4 p -99.68 27.69 5.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.775 0.321 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -145.63 155.67 43.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.7 m -139.68 139.57 36.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -122.1 110.85 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.777 HD12 ' N ' ' A' ' 65' ' ' GLN . 3.9 tp -92.16 137.24 32.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.777 ' N ' HD12 ' A' ' 64' ' ' LEU . 22.2 mt-30 -127.49 137.24 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.444 HG23 ' CE1' ' A' ' 53' ' ' TYR . 6.2 mt -124.0 94.74 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -71.59 154.1 41.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.55 54.37 5.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.7 mt -57.67 164.25 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -161.67 160.1 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 71' ' ' VAL . 1.6 m -61.55 -31.61 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.067 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.51 -26.67 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.56 -19.38 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.657 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -66.75 101.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.66 -132.7 2.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -133.14 112.4 11.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.476 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 35.6 m-85 -99.31 122.73 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -107.99 144.45 35.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.75 114.91 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.5 mtt -96.28 128.23 43.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 12.0 t -132.75 97.35 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.35 -84.98 0.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -122.78 -44.05 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.48 166.38 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 86' ' ' THR . 51.8 ttp180 -158.66 153.77 25.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.566 HG21 ' HB2' ' A' ' 15' ' ' LEU . 1.2 t -137.33 159.89 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -136.71 152.03 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.44 118.69 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.54 ' O ' HG21 ' A' ' 17' ' ' THR . 98.5 m -76.28 112.51 12.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.07 138.36 39.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -106.23 132.95 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.657 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 21.2 t -128.1 114.14 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -84.41 109.55 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.96 138.35 57.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt -49.67 150.32 3.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 125.8 12.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.374 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.51 -32.87 20.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -130.63 -178.01 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -116.07 141.29 48.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.9 t -124.83 155.38 39.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.48 103.6 9.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.67 59.35 4.59 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -48.72 137.62 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.19 147.41 4.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 121.06 7.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.1 m -48.03 -58.97 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.3 p -164.88 115.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.484 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -101.98 118.83 37.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -100.76 106.11 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.03 77.55 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -117.0 95.88 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -77.4 172.64 13.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.08 -96.52 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 147.0 62.13 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.73 139.46 56.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -112.77 147.66 36.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -70.35 142.26 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -114.97 -29.13 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ASP . 3.7 mm100 -125.42 109.54 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' GLN . 9.7 p-10 -37.39 146.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.3 tt -59.77 143.04 52.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.677 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.0 tmtt? -117.44 146.84 43.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 89' ' ' THR . 4.9 t -140.56 176.48 8.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.611 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -141.27 170.0 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -110.79 131.08 55.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.799 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -136.81 168.15 20.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.0 p -90.26 168.54 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' OE2' HG22 ' A' ' 71' ' ' VAL . 31.0 mt-10 -59.35 119.52 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.69 -22.47 33.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.495 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . . . -70.42 -176.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.0 m -120.24 127.9 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' HB3' HD12 ' A' ' 66' ' ' ILE . . . -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 m -157.58 108.15 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.54 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.2 mp -110.13 120.63 43.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.49 137.24 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.2 p -140.07 174.43 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -133.46 166.23 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD22 ' SG ' ' A' ' 81' ' ' CYS . 24.4 mt -145.65 154.37 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 t -60.23 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -168.48 155.29 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.469 HG22 ' C ' ' A' ' 59' ' ' GLY . 36.3 t -50.51 109.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 150.42 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.45 40.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.496 HG12 ' CB ' ' A' ' 81' ' ' CYS . 33.5 m -137.39 171.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.23 116.89 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.622 ' CD1' HD23 ' A' ' 55' ' ' LEU . 42.4 m95 -74.19 147.16 42.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -143.77 152.05 40.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 37.9 tttm -121.14 21.41 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.12 -144.16 13.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.88 167.36 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.7 m -114.62 147.91 38.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.407 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.4 mt -114.19 -178.0 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -166.54 157.7 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -62.1 159.53 14.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.78 156.93 24.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.59 -127.7 37.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.54 36.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -155.56 115.01 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -122.41 117.9 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -117.78 124.57 48.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -117.04 125.63 51.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -96.34 107.74 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -104.57 80.93 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' C ' HG22 ' A' ' 35' ' ' VAL . . . 64.65 -97.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 35' ' ' VAL . 76.8 p -111.51 27.02 10.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 111.119 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 14.7 mtm105 -140.99 151.64 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.8 m -132.21 137.51 47.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.92 108.26 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD13 ' HG ' ' A' ' 55' ' ' LEU . 21.2 tp -98.59 131.9 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -120.98 120.69 36.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 26' ' ' ALA . 14.7 mt -97.57 89.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -70.32 137.64 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.28 47.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.799 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.4 mt -47.94 164.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -162.57 145.62 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.433 HG22 ' OE2' ' A' ' 22' ' ' GLU . 4.8 m -50.23 -22.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.34 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -30.35 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -54.8 102.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.3 -121.54 0.75 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.56 112.85 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 90.7 m-85 -97.22 117.99 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -104.62 145.57 30.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.0 mtt -95.71 125.94 40.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.599 ' SG ' HD22 ' A' ' 32' ' ' LEU . 53.8 t -131.87 97.19 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.85 -87.69 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -121.06 -37.7 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.41 174.6 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -165.06 147.2 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.592 HG23 HD12 ' A' ' 15' ' ' LEU . 7.0 t -135.45 163.47 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -145.04 140.68 28.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.566 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -140.75 110.25 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' HG21 ' A' ' 17' ' ' THR . 96.5 m -68.62 124.75 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.6 tp -94.09 149.63 21.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 30.9 m -116.92 121.93 42.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 86.9 t -117.12 127.46 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -93.47 138.81 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.61 141.49 32.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.42 154.61 2.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.33 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.02 164.96 21.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -94.66 143.69 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -128.66 131.58 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.9 t -118.46 149.43 41.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -143.53 127.42 17.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.28 148.44 8.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -112.46 -54.88 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.93 67.33 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 156.62 62.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.2 m -121.97 132.84 54.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.1 p -133.07 164.09 27.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -54.27 112.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -120.69 121.16 37.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.37 151.56 7.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -163.6 126.63 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -52.85 103.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.67 -157.72 10.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HG3' ' CG ' ' A' ' 83' ' ' GLN . 54.2 Cg_endo -69.78 168.5 21.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.388 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.86 131.05 42.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -109.9 160.43 16.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -77.72 141.52 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.3 p -113.98 -23.43 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASP . 23.8 mm-40 -134.72 108.18 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' GLN . 5.9 t0 -36.43 154.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.867 HD22 ' CB ' ' A' ' 88' ' ' ALA . 1.8 tt -59.47 153.52 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.796 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -121.88 153.99 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -168.9 175.8 5.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -149.23 179.96 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.466 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 3.9 pt-20 -113.75 110.33 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.839 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -109.31 168.5 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.086 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -86.4 169.27 13.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.58 126.75 28.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.08 -19.19 55.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -174.81 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 m -127.0 119.12 25.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.562 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -80.82 -175.99 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.421 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 22.4 m -168.23 105.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.684 HD13 HD23 ' A' ' 64' ' ' LEU . 3.6 mp -98.4 120.32 38.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.48 130.0 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.29 156.18 49.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -118.78 161.73 19.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.536 HD22 ' SG ' ' A' ' 81' ' ' CYS . 25.5 mt -138.82 163.9 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -76.78 -25.7 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -147.59 -178.88 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 59' ' ' GLY . 21.4 t -93.59 98.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.34 60.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 114.29 3.65 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG11 HD11 ' A' ' 32' ' ' LEU . 5.1 m -106.65 176.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -146.78 132.11 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.803 ' CD1' HD23 ' A' ' 55' ' ' LEU . 30.6 m95 -87.85 144.89 26.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -133.75 145.06 49.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.84 ' HB2' HD11 ' A' ' 47' ' ' LEU . 40.0 tttp -111.21 20.69 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 142.87 -143.4 12.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.73 3.77 2.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -118.96 174.65 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m -113.17 137.8 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 42' ' ' LYS . 74.6 mt -99.52 173.86 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -150.59 164.75 35.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.747 ' HB3' HD13 ' A' ' 55' ' ' LEU . 1.8 p30 -95.47 146.78 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.28 -68.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.49 -128.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 84.0 mtm180 -81.8 44.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 85.1 m-85 -158.44 108.69 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -101.33 108.26 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.803 HD23 ' CD1' ' A' ' 40' ' ' TRP . 2.2 mp -110.59 133.32 53.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -133.06 131.09 40.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -102.51 108.56 19.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -97.73 72.54 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 71.33 -91.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -113.18 31.72 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -151.03 153.82 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.5 m -131.42 145.07 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -129.51 108.83 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.684 HD23 HD13 ' A' ' 28' ' ' LEU . 28.3 tp -100.66 121.57 41.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 26' ' ' ALA . 6.8 mt -109.91 90.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -69.41 146.23 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.53 53.28 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.839 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.0 mt -52.22 158.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.549 ' C ' HG11 ' A' ' 92' ' ' VAL . 9.5 p -159.18 160.67 35.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -26.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.91 56.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.65 -29.24 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.562 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -60.08 101.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.49 -122.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -139.74 112.75 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -100.02 128.16 46.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.57 148.03 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 t -126.09 113.83 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.6 mtt -95.69 124.89 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.536 ' SG ' HD22 ' A' ' 32' ' ' LEU . 14.9 t -130.7 96.8 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.42 -87.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.46 ' CG ' ' HG3' ' A' ' 8' ' ' PRO . 14.0 mm100 -125.63 -29.26 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.927 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -86.18 165.6 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -159.16 143.43 15.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.408 HG23 HD12 ' A' ' 15' ' ' LEU . 6.8 t -128.63 151.36 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.4 p -123.9 148.04 47.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.867 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -141.43 105.06 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.6 m -69.87 114.39 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 18' ' ' LYS . 5.7 tp -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -111.94 142.34 44.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.562 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 98.2 t -129.22 119.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -85.29 119.71 25.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -76.37 129.09 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.2 mt -37.16 153.06 0.11 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.75 28.75 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.4 157.33 20.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.76 158.82 29.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -171.82 163.66 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 100' ' ' THR . 13.4 t -77.5 48.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.01 -54.3 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.63 110.64 2.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.8 p -62.75 -35.63 80.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.93 83.45 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 127.02 13.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.8 p -147.31 179.15 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.4 m -106.77 132.28 52.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -108.86 141.96 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -96.58 41.34 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.83 -157.82 25.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -112.75 -43.91 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -87.01 108.23 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.79 146.14 5.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 177.04 5.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.718 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -74.11 169.85 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.072 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -136.22 138.45 41.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -58.05 141.34 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -117.98 -21.59 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -134.68 123.25 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.44 144.53 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.7 tt -64.74 136.24 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -111.32 171.03 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.441 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 11.5 t -160.16 174.33 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -129.95 169.73 14.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 45.7 tt0 -111.53 109.98 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB2' ' HE3' ' A' ' 18' ' ' LYS . . . -119.07 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 31.0 t -94.53 164.5 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -47.44 139.47 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.34 -17.71 12.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -74.31 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.7 m -121.93 120.48 34.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -80.33 178.09 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -157.36 108.17 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.91 HD13 HD23 ' A' ' 64' ' ' LEU . 1.2 mp -111.3 134.84 52.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -122.47 145.49 48.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 p -144.13 134.24 24.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.87 157.47 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.0 mt -138.84 147.01 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -55.7 -28.06 53.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.718 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 11.0 pttt -162.3 159.32 25.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.59 HG22 ' H ' ' A' ' 60' ' ' THR . 50.0 t -59.97 112.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.46 147.0 19.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.0 10.66 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.77 177.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -140.58 136.5 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.73 ' CE3' HD22 ' A' ' 64' ' ' LEU . 56.6 m95 -95.29 141.12 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -129.98 147.47 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.688 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.6 tttm -114.13 15.97 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.7 -143.16 10.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.8 4.16 2.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -120.23 178.14 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.7 m -118.09 139.45 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.4 mt -100.25 -175.98 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.5 mtm-85 -155.8 167.16 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 49' ' ' ASP . 1.9 p-10 -104.1 112.65 25.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 154.15 84.24 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.51 -129.08 6.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -53.89 -41.41 67.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -97.19 111.46 23.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -113.98 117.13 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -128.84 124.17 34.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -113.38 131.13 56.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -92.34 149.58 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -147.87 176.29 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.61 104.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.59 ' H ' HG22 ' A' ' 35' ' ' VAL . 22.5 p 41.25 32.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -152.48 118.35 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.52 155.18 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -137.27 122.48 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.91 HD23 HD13 ' A' ' 28' ' ' LEU . 38.2 tp -106.86 129.61 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -126.6 124.55 40.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.0 mt -105.72 108.6 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.47 145.3 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t0 59.37 52.65 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.4 mt -48.8 177.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -170.63 154.32 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -16.96 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.91 -33.06 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.36 -24.99 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.711 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -64.0 102.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.5 -119.85 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -139.38 110.98 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.95 123.32 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.7 m -117.09 145.1 43.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.5 t -122.46 116.3 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -94.52 128.83 41.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 t -132.89 94.24 3.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.35 -85.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.52 -43.95 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -61.93 170.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -163.53 136.06 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.8 t -130.0 162.03 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.2 p -139.03 149.81 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -141.95 123.44 14.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.067 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 m -83.46 108.83 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -84.43 144.65 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.2 m -112.76 132.01 55.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.711 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 46.6 t -126.17 135.32 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -108.4 138.8 44.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.32 134.99 34.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt -45.64 153.06 0.64 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 142.3 47.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -135.07 173.25 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -93.58 164.88 13.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -128.56 145.54 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.0 m -42.09 108.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 102' ' ' GLY . 35.6 mt-10 60.17 42.92 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 101' ' ' GLU . . . -36.73 125.51 1.0 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -119.55 168.38 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.77 147.18 11.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 99.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -78.05 146.74 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.1 p -86.3 -55.23 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -113.55 84.49 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -85.17 121.52 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.53 80.92 1.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -97.12 137.93 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.3 p -142.43 175.68 9.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.07 -114.42 3.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 156.86 62.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 164.87 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HG2' ' CB ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -134.62 -177.51 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -104.97 139.37 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.0 p -113.62 -21.8 10.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -129.76 109.86 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.79 134.52 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.787 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.6 tt -44.51 146.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.759 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.3 tmmm? -118.1 153.41 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.475 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 7.0 t -150.42 178.68 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.835 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -146.64 157.99 43.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -96.47 126.4 41.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB2' ' NZ ' ' A' ' 18' ' ' LYS . . . -136.54 167.88 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.082 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -97.3 168.16 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -49.86 139.23 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.27 -26.91 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . . . -64.68 -179.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 m -124.95 121.39 34.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.598 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -87.25 134.48 33.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.1 m -118.45 119.43 34.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.2 mp -116.66 137.41 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -127.23 139.09 53.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -143.53 140.24 30.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -98.55 162.49 13.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.7 mt -136.52 159.38 41.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.433 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 5.3 t -65.95 -27.78 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -164.76 158.72 17.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.8 t -55.18 113.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 154.53 31.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 142.94 49.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 178.08 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -158.4 110.87 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.683 ' CD1' HD13 ' A' ' 55' ' ' LEU . 47.6 m95 -70.99 144.59 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 18.9 mttp -138.42 148.02 43.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -120.11 33.77 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 131.75 -145.72 17.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.7 Cg_endo -69.76 3.11 2.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -116.39 172.47 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 m -118.82 141.82 48.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 41' ' ' LYS . 5.1 mp -110.45 171.16 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -147.89 -176.73 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -105.52 116.03 31.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.22 -101.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.88 -83.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -43.05 -41.19 3.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.464 ' CE1' HG23 ' A' ' 66' ' ' ILE . 4.5 m-85 -105.91 138.62 41.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -141.12 117.37 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.683 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.74 146.54 51.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -130.85 144.9 51.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -105.82 130.57 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.94 93.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.89 -100.38 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -109.51 34.45 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -143.36 149.25 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -135.24 120.09 18.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -107.15 123.48 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.662 HD22 ' CE3' ' A' ' 40' ' ' TRP . 29.6 tp -111.3 117.76 34.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -116.5 111.28 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.464 HG23 ' CE1' ' A' ' 53' ' ' TYR . 13.3 mt -97.13 105.96 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -81.73 142.22 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t0 72.08 54.71 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.598 HD11 ' HB2' ' A' ' 26' ' ' ALA . 15.2 mt -57.98 166.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -160.75 150.74 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 94' ' ' ALA . 11.6 m -57.19 -20.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.47 -25.22 33.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.33 -27.61 59.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.617 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -58.19 103.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.15 -123.89 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -132.73 112.57 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 83.8 m-85 -97.71 116.17 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.39 140.51 45.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.3 t -119.39 122.23 41.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.9 mtt -97.99 129.07 44.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 t -132.58 96.57 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.81 -81.51 0.64 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.31 -44.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.98 173.55 4.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -162.62 143.8 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.685 HG23 HD12 ' A' ' 15' ' ' LEU . 5.3 t -132.61 147.84 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.9 p -127.15 146.35 50.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.67 108.18 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.6 m -68.32 123.6 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.0 tp -101.87 144.79 30.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.3 m -109.02 140.05 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.617 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 99.1 t -129.82 135.02 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.17 125.23 50.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' HB2' HG11 ' A' ' 71' ' ' VAL . . . -68.51 148.14 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.7 155.41 14.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 125.63 12.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.84 157.11 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 62.56 39.94 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 101' ' ' GLU . 17.6 t80 -100.06 92.96 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.4 p -90.01 -21.14 22.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.538 ' O ' ' CE2' ' A' ' 99' ' ' PHE . 11.7 tt0 -80.44 126.57 31.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -146.55 -52.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -168.49 147.91 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -157.29 -74.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -20.0 35.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 p -108.34 151.2 26.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.1 p -107.94 160.84 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -152.68 168.74 24.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 m -102.7 40.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.15 -130.73 6.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -104.34 155.39 18.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p -93.09 -49.94 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.0 -156.81 16.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.7 51.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.92 161.94 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.484 ' CD ' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -139.58 174.97 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 67.1 m-85 -93.95 137.52 33.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.6 p -112.8 -20.21 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 9.6 mm100 -134.28 110.82 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.72 122.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 6.2 tp -58.99 138.96 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -124.57 -179.44 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.673 HG21 ' O ' ' A' ' 89' ' ' THR . 3.4 t -145.35 179.37 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.563 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.55 161.46 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -103.1 136.26 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -145.16 167.09 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 44.1 t -91.26 163.13 14.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -50.18 143.09 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.86 -11.01 16.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -78.0 -179.1 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.7 m -121.17 119.93 33.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' N ' HD11 ' A' ' 69' ' ' LEU . . . -74.18 168.51 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -155.69 105.93 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.681 HD13 HD23 ' A' ' 64' ' ' LEU . 5.0 mp -104.33 148.68 26.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -131.33 141.24 49.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.468 ' HB3' HD13 ' A' ' 15' ' ' LEU . 6.8 p -148.35 152.08 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 10.3 tt0 -109.1 169.99 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.6 mt -150.46 153.66 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.484 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 16.0 t -62.93 -29.62 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -162.17 158.92 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 60' ' ' THR . 42.6 t -59.66 114.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.99 151.37 27.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.719 . . . . 0.0 111.065 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 123.35 10.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.223 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -121.9 167.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -138.9 133.9 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.833 ' CE3' HD22 ' A' ' 64' ' ' LEU . 28.9 m95 -91.07 147.67 22.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.02 149.98 49.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 44.3 tttm -118.79 11.81 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 151.43 -141.4 8.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.6 Cg_endo -69.75 2.79 3.21 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -115.37 171.82 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -114.03 143.58 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.7 mt -114.93 150.67 35.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -150.03 148.63 29.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -55.15 134.47 49.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.6 109.78 1.83 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.74 -123.23 5.92 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -94.66 31.25 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -150.73 129.07 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -120.69 116.04 24.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -125.84 109.47 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -104.81 134.38 48.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 15.5 tp60 -90.32 152.0 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 4.9 t70 -152.34 162.48 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.34 105.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.459 ' H ' HG22 ' A' ' 35' ' ' VAL . 2.4 p 48.82 30.92 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.11 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -152.03 145.23 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -138.93 141.81 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -127.56 114.52 17.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.833 HD22 ' CE3' ' A' ' 40' ' ' TRP . 12.7 tp -99.35 141.83 31.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -133.71 137.43 45.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 26' ' ' ALA . 9.7 mt -115.99 96.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -71.01 134.46 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t0 74.71 53.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 26' ' ' ALA . 17.6 mt -55.58 163.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.56 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -168.28 152.07 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -27.6 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.06 -32.01 56.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.14 -26.02 67.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.801 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -66.14 103.38 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.26 -130.14 1.46 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.443 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -131.27 107.85 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 87.6 m-85 -97.08 116.41 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.27 136.37 49.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -117.04 116.23 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.5 mtt -94.55 125.81 39.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -130.67 95.97 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.13 -97.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -115.93 -31.91 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.18 169.79 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 12.8 ttp-105 -160.39 150.13 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 15' ' ' LEU . 8.9 t -145.8 158.34 43.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.4 p -139.62 152.77 47.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.43 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -144.05 111.55 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.673 ' O ' HG21 ' A' ' 17' ' ' THR . 94.4 m -67.56 114.72 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 18' ' ' LYS . 7.2 tp -79.44 152.74 30.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 88.7 m -115.69 126.98 54.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.801 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.7 t -122.12 112.88 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mmp_? -90.06 122.96 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.61 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.14 150.33 15.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 123.61 10.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.2 -13.44 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -103.08 12.92 35.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -43.06 -61.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.8 t -108.88 131.97 54.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -54.78 115.26 2.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.33 -31.89 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.51 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -41.54 -32.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.417 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.38 83.83 0.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.18 4.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t 64.13 52.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.3 m -85.32 -176.16 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p -72.57 118.99 16.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -159.28 161.89 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.59 98.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 p -77.33 145.05 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -90.31 42.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.22 -175.01 25.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 160.05 51.15 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.37 127.05 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -113.28 137.04 52.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 87.1 m-85 -60.55 143.47 53.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.1 p -115.45 -28.73 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -128.65 112.16 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.07 148.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.727 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 1.8 tt -66.96 129.2 39.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.8 mmmm -110.45 167.38 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 89' ' ' THR . 3.2 t -148.13 178.56 8.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -127.93 170.25 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 6.9 pt-20 -110.24 109.98 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -117.75 165.18 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -92.89 157.91 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -48.0 132.23 15.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.42 6.0 86.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.84 179.7 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -117.5 118.22 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -81.65 168.35 18.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.52 HG22 ' OE1' ' A' ' 29' ' ' GLN . 3.4 m -150.61 114.26 4.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD13 HD23 ' A' ' 64' ' ' LEU . 5.1 mp -106.2 139.65 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.52 ' OE1' HG22 ' A' ' 27' ' ' THR . 2.6 mp0 -122.22 131.37 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.03 157.93 45.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -117.25 167.73 10.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.1 mt -143.39 163.58 32.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -74.52 -22.51 59.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.4 HG22 ' C ' ' A' ' 59' ' ' GLY . 49.6 t -51.73 115.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.96 153.83 27.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.54 33.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.748 2.299 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.401 HG12 ' HB2' ' A' ' 81' ' ' CYS . 21.5 m -137.92 166.11 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -141.6 121.25 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.914 ' CD1' HD23 ' A' ' 55' ' ' LEU . 26.1 m95 -79.48 149.76 31.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -140.04 149.69 43.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' A' ' 47' ' ' LEU . 24.0 tttt -120.84 17.62 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.27 -143.11 10.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 54.0 Cg_endo -69.73 3.05 2.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.7 170.56 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -111.28 149.61 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 42' ' ' LYS . 7.3 mt -125.24 155.82 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -158.51 158.37 33.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -67.16 120.58 13.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.71 -60.85 0.25 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.22 -135.95 2.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 35.1 mmt180 -77.0 47.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 95.3 m-85 -161.99 111.36 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.22 118.64 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.914 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.2 OUTLIER -119.72 108.5 14.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -101.18 143.03 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -112.44 108.31 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -106.46 84.09 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.4 ' C ' HG22 ' A' ' 35' ' ' VAL . . . 66.33 -105.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 55.3 p -104.79 14.92 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -129.8 151.71 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.6 m -129.42 151.68 49.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -134.58 118.1 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD23 HD13 ' A' ' 28' ' ' LEU . 21.4 tp -103.34 139.49 38.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -128.03 127.92 44.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.45 HG23 ' CE1' ' A' ' 53' ' ' TYR . 9.9 mt -113.16 96.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -73.95 152.69 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 56.48 50.94 12.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.7 mt -53.49 177.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 73' ' ' ASP . 1.8 m -174.33 138.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.8 m -43.51 -34.02 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.6 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' SER . 5.1 m-20 -60.6 -38.63 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -45.9 106.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.51 -125.92 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -136.26 114.08 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.577 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 85.1 m-85 -97.11 117.12 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -111.28 142.08 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.7 t -122.68 123.5 41.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -100.99 126.77 47.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 38.5 t -129.32 97.3 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.62 -84.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -125.25 -39.19 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 169.85 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -160.16 146.47 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 13.3 t -134.76 162.12 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.3 p -136.51 149.01 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.727 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.75 126.86 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.668 ' O ' HG21 ' A' ' 17' ' ' THR . 71.8 m -90.45 106.47 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.41 ' HA ' HG21 ' A' ' 17' ' ' THR . 7.7 tp -74.5 148.05 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -111.09 128.97 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.724 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 50.8 t -127.15 119.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -96.85 125.52 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.35 146.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.52 153.88 2.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 114.27 3.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.22 150.48 38.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -71.44 104.98 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -98.19 -53.57 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.9 m -75.17 111.52 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -102.68 90.03 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 43.94 -161.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 t -77.29 118.66 20.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.14 -96.81 0.56 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 113.82 3.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -121.16 81.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.7 m 52.0 52.73 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m 59.54 42.22 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 m -78.91 94.87 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.13 -59.26 1.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -57.91 117.57 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -39.43 -47.77 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.29 175.57 15.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.35 57.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 152.1 21.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.467 ' HD3' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -129.41 176.57 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -93.66 138.19 32.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.2 p -113.43 -27.53 7.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.2 mm-40 -127.3 104.77 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.6 p30 -36.14 129.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.8 tt -44.96 150.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.844 ' N ' HD23 ' A' ' 15' ' ' LEU . 13.9 tptt -136.21 153.61 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.497 HG21 ' O ' ' A' ' 89' ' ' THR . 13.9 t -136.14 -174.96 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.659 ' HE2' ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -132.69 -177.57 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 13.1 tt0 -120.31 109.79 15.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB2' ' HE2' ' A' ' 18' ' ' LYS . . . -122.08 168.38 12.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -102.14 169.62 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -50.96 143.09 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.58 2.77 81.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -85.15 -174.19 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 26' ' ' ALA . 7.7 m -124.66 99.22 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.806 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -40.74 162.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.4 m -164.8 109.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HB3' HD21 ' A' ' 15' ' ' LEU . 5.1 mp -122.17 134.44 54.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -118.49 135.0 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.3 p -134.52 178.87 6.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 5.9 tt0 -134.55 166.05 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.4 mt -147.51 154.13 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.467 ' CB ' ' HD3' ' A' ' 10' ' ' ARG . 35.9 t -66.31 -23.71 66.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -162.44 158.43 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.42 104.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.83 149.31 35.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 129.72 18.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.46 170.86 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -132.8 133.06 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.845 ' CD1' HD23 ' A' ' 55' ' ' LEU . 45.2 m95 -94.56 149.5 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.6 mttt -138.29 147.12 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.804 ' HB2' HD11 ' A' ' 47' ' ' LEU . 44.3 tttm -112.17 15.68 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.81 -142.69 10.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.58 174.47 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -114.45 137.04 52.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 42' ' ' LYS . 83.8 mt -99.05 -178.03 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 2.1 mpp_? -157.11 167.8 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.635 ' HB3' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -91.64 113.76 26.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.44 174.73 24.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.47 -94.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.476 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -119.08 42.33 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -155.93 123.39 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -124.79 114.88 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.845 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.1 mp -116.65 103.49 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -97.53 118.22 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -89.53 153.42 20.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -157.85 177.8 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.45 103.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p 39.51 38.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -156.26 133.89 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.1 m -127.02 147.24 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -128.02 113.91 16.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.459 HD23 HD13 ' A' ' 28' ' ' LEU . 22.8 tp -96.66 127.5 42.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -122.17 130.4 53.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.803 HD12 ' CB ' ' A' ' 26' ' ' ALA . 6.6 mt -115.18 95.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -67.63 138.24 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 t70 74.92 52.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.806 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -55.97 163.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -171.5 155.64 4.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.77 -31.54 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.07 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.62 -13.4 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.703 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -72.99 100.3 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.63 -120.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.532 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.77 136.7 34.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -118.96 129.89 55.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LYS . 14.8 m -119.17 140.47 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.22 120.15 31.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -98.46 131.36 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.52 95.48 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.77 -87.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -123.25 -37.06 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.69 167.77 17.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -154.67 150.85 28.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 4.2 t -144.45 160.39 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.9 t -139.36 157.71 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.505 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -152.88 125.56 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.497 ' O ' HG21 ' A' ' 17' ' ' THR . 92.6 m -87.55 116.62 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.582 HD11 ' NZ ' ' A' ' 18' ' ' LYS . 3.7 tp -84.32 145.42 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.412 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 10.3 m -113.18 122.7 48.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.703 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 22.0 t -119.55 134.17 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -103.39 125.65 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.0 138.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 mt -44.26 155.0 0.37 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 147.8 63.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.405 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.53 -31.9 22.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -122.26 136.64 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -100.15 174.19 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.9 p -60.88 102.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 27.1 tt0 -114.82 152.86 31.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 101' ' ' GLU . . . -93.78 169.05 29.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.4 t -131.56 -61.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.93 167.39 24.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 162.72 40.96 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.7 m -51.95 164.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.7 m -71.05 148.41 47.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.495 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -64.73 92.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -67.72 143.45 55.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.8 -50.08 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -60.51 105.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -171.15 113.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.19 -89.98 2.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 160.21 50.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -85.22 154.88 21.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -124.92 141.69 51.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -58.84 139.18 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -113.94 -25.15 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -130.86 111.9 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.6 143.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.733 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.1 tt -53.81 142.75 22.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.725 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.8 tmmm? -108.9 157.39 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 6.0 t -167.55 163.39 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.664 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -136.7 -174.99 3.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -118.57 109.86 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.688 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -112.05 168.95 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -90.35 169.81 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.28 143.08 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.4 -21.21 6.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -173.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.6 m -125.51 112.28 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -64.28 176.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.483 ' N ' ' HE3' ' A' ' 18' ' ' LYS . 55.3 m -168.01 107.69 0.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.797 HD13 HD23 ' A' ' 64' ' ' LEU . 4.9 mp -114.02 124.0 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -116.09 126.71 54.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.0 p -128.89 159.41 35.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -114.29 168.76 9.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.626 HD22 ' SG ' ' A' ' 81' ' ' CYS . 33.8 mt -147.62 156.28 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -61.82 -29.79 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 6.6 pttp -163.19 171.98 15.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 59' ' ' GLY . 85.4 t -67.98 108.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -147.92 156.43 44.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.698 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.83 130.08 18.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.56 HG12 ' HB2' ' A' ' 81' ' ' CYS . 26.6 m -122.86 166.98 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -143.89 119.8 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.937 ' CD1' HD23 ' A' ' 55' ' ' LEU . 38.7 m95 -79.56 144.87 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HE3' HG23 ' A' ' 46' ' ' THR . 21.5 mttt -139.8 147.24 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.4 tttt -112.07 7.81 19.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 155.9 -141.77 8.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.1 Cg_endo -69.84 4.23 2.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.296 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -118.15 170.97 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.456 HG23 ' HE3' ' A' ' 41' ' ' LYS . 1.2 m -116.49 133.85 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 42' ' ' LYS . 9.9 mt -100.35 172.22 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.35 164.49 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -84.73 127.36 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.56 -102.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -88.05 -109.44 1.02 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -37.56 -51.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.834 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -74.71 111.14 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -123.45 101.12 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.937 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -99.8 141.86 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -134.26 122.86 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -94.52 115.01 27.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.01 85.11 2.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' HG22 ' A' ' 35' ' ' VAL . . . 68.73 -103.25 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.4 p -108.34 22.76 15.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -137.7 158.28 44.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.9 m -138.22 137.6 37.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.71 119.9 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.797 HD23 HD13 ' A' ' 28' ' ' LEU . 16.0 tp -106.44 122.32 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -112.64 128.37 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.583 HD12 ' CB ' ' A' ' 26' ' ' ALA . 5.2 mt -111.4 89.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -62.91 148.01 48.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.86 44.53 4.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.2 mt -42.24 157.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.416 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -158.05 154.2 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 m -56.43 -22.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.06 61.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.469 ' OD2' HG21 ' A' ' 66' ' ' ILE . 1.1 m-20 -67.98 -31.76 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.731 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -58.94 100.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.24 -122.31 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -139.18 109.89 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -99.7 119.11 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.25 139.34 41.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.7 t -120.66 116.02 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.2 mtt -95.47 127.83 41.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.626 ' SG ' HD22 ' A' ' 32' ' ' LEU . 19.9 t -133.0 96.09 3.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.23 -86.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -126.23 -41.51 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.83 173.47 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -163.63 141.11 7.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.1 t -133.61 157.14 46.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.41 150.92 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -144.65 119.33 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.3 m -74.45 115.36 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 18' ' ' LYS . 16.3 tp -91.58 139.87 30.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 89.2 m -111.31 142.65 43.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.731 HG23 ' HB2' ' A' ' 74' ' ' ALA . 47.9 t -134.39 123.03 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -87.64 125.99 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.85 133.14 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -42.12 153.07 0.3 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 113.13 3.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.37 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -39.06 155.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.2 125.35 8.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -83.31 -55.4 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -140.02 172.09 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.44 ' N ' ' OG1' ' A' ' 100' ' ' THR . 4.1 tt0 -81.76 94.11 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.56 -125.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.8 p -148.64 143.02 26.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -45.25 167.8 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 152.17 69.4 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.7 m -59.16 157.22 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.4 p -94.92 159.05 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.52 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -89.4 174.44 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -158.32 155.47 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 92.57 -102.87 2.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 10.7 t 36.94 42.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -139.15 150.02 45.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . . . 143.35 -95.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.73 26.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.3 122.99 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -110.65 135.92 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -56.95 139.91 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.6 p -115.5 -35.36 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.6 mm-40 -116.27 108.78 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -37.26 139.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.5 tt -67.54 134.03 50.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' N ' HD23 ' A' ' 15' ' ' LEU . 9.8 mmmt -121.16 173.34 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 89' ' ' THR . 6.9 t -151.18 175.58 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.577 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -126.62 163.97 22.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.468 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 20.0 pm0 -101.23 136.12 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -146.83 168.27 21.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.3 p -91.17 172.56 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -58.59 143.21 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.21 -29.57 3.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -174.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.2 m -130.79 122.97 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.28 -179.38 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.9 m -161.86 105.14 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.94 HD13 HD23 ' A' ' 64' ' ' LEU . 4.7 mp -101.97 145.63 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -136.12 132.23 35.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.31 167.78 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 13.1 tt0 -120.99 162.61 19.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD11 HG11 ' A' ' 38' ' ' VAL . 14.4 mt -136.43 165.3 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 t -66.19 -32.2 73.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HA ' HG22 ' A' ' 60' ' ' THR . 9.3 pttm -164.47 148.17 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.454 HG22 ' HA2' ' A' ' 59' ' ' GLY . 61.0 t -42.97 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.97 152.11 24.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 128.5 16.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.403 HG11 HD11 ' A' ' 32' ' ' LEU . 11.2 m -114.65 175.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.33 116.83 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.657 ' CE3' HD22 ' A' ' 64' ' ' LEU . 20.4 m95 -80.95 154.13 27.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.487 ' HD2' ' HE3' ' A' ' 80' ' ' MET . 21.1 mttt -144.81 142.63 30.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 30.2 tttm -113.75 24.42 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 140.32 -144.1 14.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.523 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 54.4 Cg_endo -69.74 4.52 2.14 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -114.89 171.42 7.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -116.45 148.1 41.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.794 HD22 ' CE2' ' A' ' 53' ' ' TYR . 9.6 mt -116.0 159.12 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 1.7 mmp_? -145.97 140.47 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.94 135.77 48.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.61 118.25 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.88 -130.64 10.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -61.17 -35.21 76.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.794 ' CE2' HD22 ' A' ' 47' ' ' LEU . 79.7 m-85 -107.29 119.27 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -114.54 104.08 11.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 40' ' ' TRP . 1.2 mt -95.02 150.92 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -134.05 128.36 34.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 27.3 tp60 -91.81 151.95 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 6.7 t70 -164.5 160.7 20.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -44.79 101.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 34' ' ' LYS . 65.7 p 50.75 35.6 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.779 0.323 . . . . 0.0 111.164 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -153.09 148.33 26.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -137.1 147.77 46.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -131.39 110.69 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.94 HD23 HD13 ' A' ' 28' ' ' LEU . 6.5 tp -94.74 142.14 27.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.624 ' N ' HD12 ' A' ' 64' ' ' LEU . 14.7 mt-30 -130.25 111.9 12.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.7 mt -94.14 95.28 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.23 141.09 41.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 73.46 48.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.5 mt -53.1 156.43 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.14 152.92 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.0 m -51.68 -30.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.8 -29.27 64.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -34.52 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.82 98.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.04 -119.54 0.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -139.11 111.33 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.539 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 79.3 m-85 -97.25 117.39 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.2 m -108.41 137.97 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -119.09 125.64 49.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.487 ' HE3' ' HD2' ' A' ' 41' ' ' LYS . 27.9 mtt -101.61 129.24 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.7 t -133.19 100.9 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.96 -86.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -127.06 -40.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -67.18 177.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -166.2 147.94 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -139.84 163.53 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.7 m -134.34 149.72 50.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.49 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -143.31 133.99 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.533 ' O ' HG21 ' A' ' 17' ' ' THR . 62.1 m -97.65 111.4 23.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 18' ' ' LYS . 7.5 tp -80.85 153.1 27.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.458 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 52.7 m -113.51 127.94 56.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.55 135.77 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -109.76 116.81 32.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 152.41 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.24 156.05 42.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 122.63 9.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.27 137.63 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -52.85 119.74 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' PHE . 33.6 p90 -76.03 117.06 17.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 t -109.82 142.49 41.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -167.47 158.56 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.47 56.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -128.98 154.98 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.91 138.37 7.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.539 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.66 40.93 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 107' ' ' SER . 5.2 t -162.59 109.52 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' GLY . 37.5 t -37.73 115.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 m -130.28 147.12 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.89 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -148.23 119.06 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.52 -137.93 4.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -74.89 108.18 7.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 p -112.32 87.9 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.74 -174.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.0 58.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.248 . . . . 0.0 112.335 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.29 144.31 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.57 136.83 49.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.697 ' HA ' HD23 ' A' ' 32' ' ' LEU . 54.2 m-85 -57.6 140.87 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 p -117.38 -31.54 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -128.42 121.79 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -42.79 152.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.0 tt -73.72 128.96 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -112.03 164.12 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.468 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 4.4 t -148.03 177.92 8.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -127.98 163.11 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -98.41 109.98 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -118.02 168.05 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.4 m -103.12 168.03 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -50.72 136.87 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.11 -33.65 3.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 172.22 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 66' ' ' ILE . 14.8 m -116.44 115.69 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -69.7 179.43 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.9 m -156.9 109.04 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.74 HD13 HD23 ' A' ' 64' ' ' LEU . 2.0 mp -110.55 123.06 49.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -120.88 141.49 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.95 160.39 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.73 158.71 19.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 11' ' ' PHE . 36.0 mt -143.04 160.43 40.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 t -61.56 -34.19 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HA ' HG22 ' A' ' 60' ' ' THR . 10.0 pttp -159.49 141.6 13.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 35' ' ' VAL . 7.1 p -46.11 112.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -146.14 155.38 50.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.79 119.88 6.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG11 HD11 ' A' ' 32' ' ' LEU . 10.4 m -119.46 170.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -132.97 132.34 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.811 ' CE3' HD22 ' A' ' 64' ' ' LEU . 75.5 m95 -91.28 145.15 24.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 18.6 mttp -137.15 148.84 46.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -122.26 34.46 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.44 -145.79 17.35 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.09 2.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -115.67 168.73 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -114.53 127.49 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.6 mt -82.17 178.55 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 5.7 mmm180 -150.62 161.39 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.01 110.12 22.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.55 90.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . 116.51 -142.54 17.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' GLY . 2.0 tpp180 -35.67 -41.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.833 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -98.4 116.94 31.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -120.35 126.8 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.542 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.76 156.32 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.903 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -138.78 148.64 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -100.81 155.74 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -161.45 155.19 21.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -38.46 111.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 34' ' ' LYS . 70.9 p 39.79 42.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 0.0 111.129 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -161.19 137.53 8.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.3 m -127.5 156.99 41.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -142.94 117.58 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.811 HD22 ' CE3' ' A' ' 40' ' ' TRP . 43.0 tp -111.29 119.94 40.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -117.46 118.46 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 25' ' ' THR . 7.6 mt -100.36 121.09 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -88.66 147.96 24.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.98 54.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 26' ' ' ALA . 14.7 mt -57.96 158.52 6.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 p -164.2 148.36 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 m -44.94 -31.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.34 91.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.717 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -55.94 101.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.54 -113.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.29 111.82 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.366 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -97.08 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.614 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 5.5 m -114.08 136.56 52.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.825 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 t -113.13 120.29 40.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.614 ' HE1' ' HB2' ' A' ' 78' ' ' SER . 0.0 OUTLIER -95.63 129.34 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.3 t -133.0 94.69 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.92 -84.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -120.97 -42.17 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -70.77 158.86 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 86' ' ' THR . 26.7 ttp180 -153.53 154.89 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.432 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 14.0 t -142.92 163.53 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -135.7 150.34 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -144.71 135.93 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -95.73 110.16 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.9 tp -87.12 142.42 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.5 m -111.01 128.5 55.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.717 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.0 t -120.01 132.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -107.35 111.0 23.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.27 160.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.87 157.46 59.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 129.63 17.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.347 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.03 153.26 40.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -47.18 154.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -73.97 136.08 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.5 p -45.37 150.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.78 -45.41 78.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.71 40.35 99.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 m -43.78 -45.09 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 65.99 171.92 4.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -28.78 24.52 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t 48.75 45.39 21.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -123.97 159.03 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -42.97 119.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -152.12 108.24 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.69 162.0 13.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -83.65 42.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.385 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -116.03 147.75 40.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.53 147.47 15.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 161.99 43.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.31 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.19 162.01 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -135.31 162.14 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 88.3 m-85 -82.51 136.35 34.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -113.62 -19.08 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ASP . 13.9 mt-30 -134.77 102.15 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -35.89 136.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.79 HD22 ' CB ' ' A' ' 88' ' ' ALA . 2.2 tt -50.56 148.59 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.716 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -124.57 151.68 44.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.446 HG21 ' O ' ' A' ' 89' ' ' THR . 2.3 t -154.8 171.33 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -137.13 -177.34 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -115.61 109.83 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.953 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -107.01 168.29 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 p -93.62 163.9 13.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -55.13 131.69 45.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.7 -19.54 52.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.68 -174.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.371 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.1 m -123.97 114.52 19.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -61.79 178.04 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.469 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 89.1 m -165.84 105.14 0.69 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.69 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.8 mp -113.36 117.94 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -115.08 136.04 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 p -134.6 169.15 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.75 157.84 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' SG ' ' A' ' 81' ' ' CYS . 28.5 mt -136.13 153.17 51.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -65.98 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -166.56 152.94 8.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -48.32 113.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.05 147.4 18.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.18 24.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.386 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.73 168.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -142.52 134.27 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.853 ' CD1' HD23 ' A' ' 55' ' ' LEU . 45.3 m95 -89.34 138.58 31.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -131.03 144.28 51.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.861 ' HB2' HD11 ' A' ' 47' ' ' LEU . 44.8 tttt -117.19 46.34 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.42 -148.3 17.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 4.18 2.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -117.26 171.67 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -118.85 130.13 55.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.3 mt -90.0 174.41 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 1.4 mpp_? -149.28 144.61 26.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.527 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.4 p30 -61.87 156.91 19.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -178.96 35.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.78 -110.13 2.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 54.5 mtm180 -106.41 35.41 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.818 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.544 ' CE1' HG23 ' A' ' 66' ' ' ILE . 97.5 m-85 -158.54 119.91 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -116.82 120.6 39.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.853 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.9 mp -117.93 141.55 48.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -136.86 121.68 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -96.87 100.35 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.29 75.23 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.27 -98.99 1.04 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.3 p -105.78 9.45 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -125.34 148.8 48.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.3 m -129.54 135.47 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -121.54 124.34 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.618 HD13 ' HG ' ' A' ' 55' ' ' LEU . 20.9 tp -113.44 132.8 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -121.42 131.71 54.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.605 HD12 ' CB ' ' A' ' 26' ' ' ALA . 6.0 mt -110.73 89.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -62.59 144.85 55.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.92 52.78 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.953 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.3 mt -50.0 145.64 5.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.534 ' C ' HG11 ' A' ' 92' ' ' VAL . 25.1 m -145.57 150.73 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -23.33 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.49 60.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -21.19 61.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.892 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -68.5 101.55 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.66 -120.93 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -138.56 114.71 10.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -98.8 119.51 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.78 135.93 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.6 t -120.26 110.34 16.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.5 mtt -96.4 131.64 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.489 ' SG ' HD22 ' A' ' 32' ' ' LEU . 25.3 t -131.48 99.66 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 -84.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -125.39 -41.84 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -66.82 -179.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -166.0 150.47 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -142.0 163.06 33.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -137.65 151.62 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.79 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -145.22 107.75 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.446 ' O ' HG21 ' A' ' 17' ' ' THR . 39.2 m -67.28 121.97 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.0 tp -101.0 138.84 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -112.4 137.32 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.892 HG23 ' HB2' ' A' ' 74' ' ' ALA . 39.4 t -128.07 123.68 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -96.82 124.88 40.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.93 140.66 47.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt -49.57 151.85 2.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.745 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.1 18.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.58 53.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -96.29 123.26 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -100.46 97.26 8.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.1 t -121.01 156.98 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -108.56 117.15 33.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -104.33 90.59 0.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t -41.8 -58.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.806 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 129.58 72.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.83 23.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.0 p -164.85 148.39 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.9 m -90.6 157.45 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.45 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -88.3 105.72 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m 62.26 27.39 16.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.45 130.44 10.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -66.33 99.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -135.71 132.22 36.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.56 146.04 5.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 169.59 18.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.6 137.71 37.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -119.09 135.55 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -54.32 145.97 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -117.62 -29.67 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' ASP . 30.6 mm-40 -130.46 118.9 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' GLN . 8.3 p-10 -37.09 151.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.901 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 3.6 tt -57.96 150.84 19.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.891 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -118.22 117.04 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.528 ' HB ' HD23 ' A' ' 28' ' ' LEU . 9.0 t -120.39 158.25 27.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -125.34 168.32 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.5 pt-20 -111.02 111.9 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.25 168.31 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.66 166.96 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.94 145.7 15.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.26 -39.0 2.25 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.46 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.9 m -118.06 131.32 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -91.77 122.42 34.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.401 HG22 ' OE1' ' A' ' 29' ' ' GLN . 8.2 m -108.11 117.77 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD23 ' HB ' ' A' ' 17' ' ' THR . 4.8 mp -116.79 143.82 45.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.487 ' CD ' ' C ' ' A' ' 28' ' ' LEU . 2.2 mp0 -126.37 138.74 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -141.22 154.74 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 12.0 tt0 -110.95 166.42 11.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.467 HD22 ' SG ' ' A' ' 81' ' ' CYS . 29.9 mt -146.06 159.4 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -66.42 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -167.7 159.46 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -50.67 112.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.5 150.77 21.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.32 25.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -121.56 176.13 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -147.92 119.71 8.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.847 ' CE3' HD22 ' A' ' 64' ' ' LEU . 45.9 m95 -83.09 141.34 32.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -134.21 144.2 48.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HB2' HD11 ' A' ' 47' ' ' LEU . 30.8 tttt -112.97 23.24 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 141.83 -144.41 14.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.6 Cg_endo -69.82 3.9 2.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.27 167.99 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -113.62 140.22 48.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 42' ' ' LYS . 6.2 mt -110.15 170.43 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -143.17 172.62 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.04 124.4 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.15 116.83 1.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.87 -131.87 10.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -54.87 -42.0 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.345 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -92.66 106.48 18.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -114.81 120.43 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.6 146.25 51.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -126.02 152.19 46.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -115.3 128.6 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -130.71 99.1 4.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.65 -105.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.9 p -108.44 31.97 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -146.88 119.46 8.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.0 m -113.06 139.25 48.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' CG ' ' OE1' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -120.59 147.84 44.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.847 HD22 ' CE3' ' A' ' 40' ' ' TRP . 19.3 tp -126.4 118.38 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -110.01 116.28 31.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 26' ' ' ALA . 8.1 mt -101.3 105.49 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -80.39 152.19 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.02 51.4 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.2 mt -56.01 163.09 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.6 p -164.7 141.45 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 m -44.05 -31.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.71 -36.33 80.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.637 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -47.43 104.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.9 -123.56 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.13 111.08 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -97.41 116.33 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -104.52 156.09 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -133.06 118.5 18.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -96.21 127.56 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.467 ' SG ' HD22 ' A' ' 32' ' ' LEU . 47.4 t -132.25 96.02 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 -84.61 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -124.55 -43.58 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.65 177.73 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.9 ttp180 -164.07 156.62 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.48 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 8.9 t -133.87 162.21 32.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -142.4 138.45 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.901 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.37 108.9 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.528 ' O ' HG21 ' A' ' 17' ' ' THR . 23.5 m -63.82 120.75 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.0 tp -88.98 141.45 28.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.3 m -111.69 127.17 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.637 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 88.8 t -122.34 124.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -92.55 118.33 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.77 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 mt -57.2 156.16 15.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 116.37 4.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.91 -45.87 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -133.91 150.32 51.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -111.62 139.15 47.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 32.1 p -59.24 92.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -83.47 179.73 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.53 147.1 9.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.8 p -121.28 121.91 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.63 85.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 156.22 63.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 t -131.3 173.2 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.4 t -88.11 148.38 24.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m -144.58 128.54 17.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -147.31 161.75 40.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.24 73.86 0.5 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -98.27 130.29 44.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -58.75 151.11 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.4 -157.98 23.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 152.25 69.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 139.12 49.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -115.79 160.5 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CE1' HD21 ' A' ' 32' ' ' LEU . 51.3 m-85 -81.45 141.01 34.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 p -115.08 -19.53 10.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -144.47 116.5 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -40.87 158.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.936 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -60.3 163.2 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.769 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -131.93 152.85 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 1.1 t -163.79 171.08 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.99 -179.86 5.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 30.5 tt0 -107.51 109.26 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB1' ' CB ' ' A' ' 24' ' ' ALA . . . -117.4 168.87 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 m -102.68 168.6 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.97 140.42 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.8 -28.64 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -59.03 -172.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.2 m -130.27 107.05 8.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.041 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -60.65 124.36 20.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.868 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.4 mp -109.95 120.76 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -119.31 134.56 55.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 p -133.58 164.32 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -117.61 162.96 17.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.52 HD22 ' SG ' ' A' ' 81' ' ' CYS . 92.7 mt -144.53 161.14 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -70.2 -20.2 63.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.31 158.75 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.441 ' N ' HG22 ' A' ' 60' ' ' THR . 21.0 t -61.95 95.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.23 151.88 72.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 139.28 40.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG12 ' SG ' ' A' ' 81' ' ' CYS . 5.3 m -124.98 167.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -130.7 113.89 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CD1' HD23 ' A' ' 55' ' ' LEU . 56.9 m95 -77.66 145.07 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' HE3' HG23 ' A' ' 46' ' ' THR . 13.3 mttp -139.82 150.02 44.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.544 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 44.2 tttp -119.55 15.4 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 148.18 -142.95 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.1 Cg_endo -69.79 3.12 2.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.3 166.54 12.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.462 HG23 ' HE3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -109.22 139.47 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -100.69 178.87 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -157.75 164.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.635 ' HB3' HD13 ' A' ' 55' ' ' LEU . 4.1 p-10 -95.35 116.2 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.03 87.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.68 -134.13 10.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -53.01 -41.16 64.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -87.09 111.49 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -108.96 120.61 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.861 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -132.55 123.26 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 57' ' ' GLN . 20.3 ttpt -139.86 157.28 45.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 56' ' ' LYS . 6.4 tp60 -89.47 138.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -131.94 62.47 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.64 91.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 35' ' ' VAL . 63.0 p 50.2 25.73 1.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -150.35 116.72 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.7 m -99.56 134.26 42.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -124.05 112.17 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.659 HD13 ' HG ' ' A' ' 55' ' ' LEU . 14.6 tp -98.47 135.96 39.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -122.8 117.39 25.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 26' ' ' ALA . 30.0 mt -102.09 87.15 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -63.45 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t0 73.81 52.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.041 HD21 ' HB2' ' A' ' 26' ' ' ALA . 13.0 mt -52.82 152.89 3.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -156.48 149.66 24.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.53 HG11 ' HB2' ' A' ' 94' ' ' ALA . 6.0 m -47.46 -36.81 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.72 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.15 -25.32 64.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.692 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -65.19 101.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.64 -121.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -138.17 109.42 6.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.544 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 66.0 m-85 -97.3 117.73 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -102.8 133.47 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 17.7 t -110.79 116.91 32.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -94.37 123.06 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.566 ' SG ' HG12 ' A' ' 38' ' ' VAL . 52.9 t -130.45 98.49 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.24 -94.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -119.9 -32.93 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 10' ' ' ARG . 26.7 mt-10 -78.42 172.52 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 19.8 ttp-105 -154.1 151.35 29.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.603 HG23 HD12 ' A' ' 15' ' ' LEU . 11.3 t -137.48 147.85 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.7 p -125.74 155.11 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.936 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -154.94 109.59 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.2 m -73.16 111.44 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -87.96 135.52 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.46 128.51 54.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.692 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.4 t -122.13 125.76 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -97.35 109.36 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.53 ' HB2' HG11 ' A' ' 71' ' ' VAL . . . -52.64 163.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.53 155.94 73.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.712 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.66 23.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.23 132.97 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -39.16 -33.52 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -97.05 106.61 18.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 59.3 p -119.92 165.44 14.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 102' ' ' GLY . 19.8 tt0 57.17 42.8 25.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 101' ' ' GLU . . . -34.54 -64.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -89.23 155.32 19.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -131.12 169.7 21.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.83 23.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.224 . . . . 0.0 112.328 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' SER . 3.7 t -113.05 -43.91 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' SER . 65.3 p 37.22 41.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.781 0.324 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -121.16 142.72 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 64.1 m-85 -56.94 145.41 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.0 p -117.85 -34.75 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' ASP . 12.0 mm100 -119.73 106.81 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.8 p-10 -36.2 124.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HG ' ' HB2' ' A' ' 88' ' ' ALA . 8.8 tp -55.27 136.39 48.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 17' ' ' THR . 15.0 tptt -125.9 159.18 33.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.635 HG21 ' O ' ' A' ' 89' ' ' THR . 2.4 t -131.01 176.12 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -123.54 166.42 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 8.8 pt-20 -108.85 110.68 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.19 168.13 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 59.9 p -92.75 157.64 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.25 143.67 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.87 -28.25 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -68.58 -175.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.8 m -122.99 121.13 35.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -79.55 164.26 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.8 m -148.63 108.67 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.826 HD13 HD23 ' A' ' 64' ' ' LEU . 4.5 mp -102.76 140.4 37.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -123.71 142.23 51.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 p -152.15 144.45 24.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 9.5 tt0 -103.59 168.72 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD22 ' SG ' ' A' ' 81' ' ' CYS . 81.1 mt -144.47 161.78 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -67.56 -31.07 70.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.45 165.97 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -59.68 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.15 145.62 21.21 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.4 m -107.9 -176.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -153.05 110.45 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.728 ' CE3' HD22 ' A' ' 64' ' ' LEU . 61.4 m95 -70.58 149.17 47.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.752 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 20.0 mttp -143.76 146.53 33.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.778 ' HB2' HD11 ' A' ' 47' ' ' LEU . 29.3 tttm -116.45 34.83 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.02 -146.12 17.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 3.29 2.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.86 162.58 18.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.717 HG23 ' HE3' ' A' ' 41' ' ' LYS . 1.3 m -104.18 151.2 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.778 HD11 ' HB2' ' A' ' 42' ' ' LYS . 73.1 mt -117.05 175.86 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 12.4 mtm105 -158.48 157.57 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -122.95 117.72 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.718 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -122.56 106.78 11.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -103.85 141.99 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -115.74 105.31 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.67 79.76 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 -100.57 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.7 p -104.66 16.07 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -131.04 150.78 51.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.6 m -131.7 126.51 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -111.82 108.7 18.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.826 HD23 HD13 ' A' ' 28' ' ' LEU . 12.6 tp -92.27 145.88 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.529 ' H ' HD12 ' A' ' 64' ' ' LEU . 37.5 mt-30 -137.14 142.53 42.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mt -127.66 92.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.71 146.53 54.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 61.72 52.66 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.5 mt -49.42 171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.511 ' O ' HG11 ' A' ' 92' ' ' VAL . 2.4 m -167.23 159.18 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -66.94 -24.13 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.02 -15.33 56.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.21 -28.15 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -58.55 103.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.12 -121.77 1.08 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -139.54 110.62 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.542 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.2 m-85 -97.8 116.93 31.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 m -106.94 147.35 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.1 t -125.27 120.2 30.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.752 ' HE1' ' HB2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.18 124.01 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.547 ' SG ' HD22 ' A' ' 32' ' ' LEU . 39.6 t -132.11 103.12 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.55 -94.23 0.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.62 -33.45 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -76.96 167.2 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -156.78 149.52 23.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.4 t -145.91 163.22 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 154.95 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -146.16 124.35 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.635 ' O ' HG21 ' A' ' 17' ' ' THR . 78.9 m -73.87 116.2 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 tp -79.1 141.51 37.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.442 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 24.3 m -104.77 120.25 40.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 90.4 t -121.72 115.7 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -85.13 125.53 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.55 140.18 46.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.8 0.333 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.508 HH11 HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -132.75 171.5 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 88.1 m-85 -90.44 140.26 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.508 HG22 HH11 ' A' ' 10' ' ' ARG . 23.3 p -111.2 -14.28 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -144.77 113.6 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -41.06 129.23 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.75 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.5 tt -35.45 143.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.711 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.5 tmmm? -114.35 142.97 45.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 89' ' ' THR . 10.0 t -136.23 167.25 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -131.97 159.24 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -99.2 112.05 24.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.54 165.02 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -94.45 170.96 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.21 137.6 56.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.29 -20.75 24.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -175.9 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -121.96 113.92 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.834 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -74.7 131.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.5 m -119.86 117.12 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 64' ' ' LEU . 4.5 mp -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -138.53 143.28 39.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.8 p -142.79 143.27 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.38 160.09 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD22 ' SG ' ' A' ' 81' ' ' CYS . 43.8 mt -141.59 158.65 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -66.93 -28.53 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -165.77 166.68 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.89 114.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.94 148.23 19.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.74 33.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.692 HG12 ' HB2' ' A' ' 81' ' ' CYS . 23.1 m -124.89 -176.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -154.66 112.89 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.773 ' CE3' HD22 ' A' ' 64' ' ' LEU . 69.2 m95 -75.35 138.11 41.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -133.11 144.79 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HB2' HD11 ' A' ' 47' ' ' LEU . 23.8 tttt -113.38 20.06 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.32 -144.3 13.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.75 4.06 2.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.72 177.23 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -121.53 152.42 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.1 mt -119.13 -177.0 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -151.72 -176.92 5.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.921 0.391 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -125.11 117.75 24.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.672 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.3 147.52 51.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -134.78 143.93 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.57 115.42 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -113.86 93.16 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.14 -105.97 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -109.41 22.64 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -139.04 129.25 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.2 157.73 17.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -142.71 114.89 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.773 HD22 ' CE3' ' A' ' 40' ' ' TRP . 44.1 tp -100.73 137.57 38.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -127.41 116.44 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 26' ' ' ALA . 7.2 mt -104.19 93.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -71.69 152.1 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 63.47 53.31 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' A' ' 26' ' ' ALA . 11.4 mt -58.68 156.92 10.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.493 ' C ' HG11 ' A' ' 92' ' ' VAL . 2.0 m -157.14 138.1 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.485 ' N ' HG11 ' A' ' 92' ' ' VAL . 12.9 m -40.7 -33.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.64 95.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' SER . 4.6 m-20 -63.49 -13.87 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -67.86 104.03 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 89' ' ' THR . . . -160.93 -114.93 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 137.52 34.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.47 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 43.7 m-85 -123.91 121.92 36.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 m -111.29 145.7 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -123.88 118.32 26.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -94.45 125.83 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.692 ' HB2' HG12 ' A' ' 38' ' ' VAL . 19.7 t -130.56 95.41 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.25 -83.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -129.58 -39.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 178.19 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -164.05 147.16 9.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.444 HG23 HD12 ' A' ' 15' ' ' LEU . 11.2 t -137.22 146.26 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -118.57 151.43 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.75 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -150.93 109.83 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 75' ' ' GLY . 39.9 m -73.14 120.38 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 91' ' ' THR . 13.0 tp -87.31 153.66 21.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.468 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 19.5 m -118.42 126.23 51.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 45.7 t -117.88 131.66 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -102.39 131.07 49.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.34 141.08 45.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -123.17 138.83 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -59.7 135.67 57.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 p -111.99 -26.68 8.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -124.63 109.28 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.66 136.23 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.1 tt -47.59 134.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.634 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -106.63 152.49 23.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 89' ' ' THR . 11.8 t -146.38 169.47 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.39 164.3 28.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 mt-10 -104.34 120.59 41.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.85 168.33 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.4 p -92.75 167.02 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.515 ' O ' HD21 ' A' ' 95' ' ' LEU . 16.9 mt-10 -58.32 130.99 49.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.25 -17.62 58.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 m -123.84 118.53 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -75.05 175.07 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.8 m -151.15 105.34 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.0 mp -106.28 127.95 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.27 143.17 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.1 p -150.9 139.58 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -101.08 162.08 13.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 ' SG ' ' A' ' 81' ' ' CYS . 18.0 mt -136.23 164.17 28.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.0 p -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' C ' HG22 ' A' ' 60' ' ' THR . 50.2 pttt -172.8 167.75 5.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 t -59.72 106.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.81 146.1 25.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.071 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.55 25.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.66 HG12 ' HB2' ' A' ' 81' ' ' CYS . 30.5 m -123.69 176.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -146.78 117.55 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.919 ' CE3' HD22 ' A' ' 64' ' ' LEU . 60.8 m95 -79.16 137.86 37.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -132.58 142.23 49.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 43.2 tttm -111.42 20.63 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.11 -144.05 12.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.75 4.42 2.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -117.27 166.35 12.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -114.73 137.22 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 42' ' ' LYS . 5.5 mt -103.62 -179.4 3.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -149.38 -179.07 6.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.428 ' C ' HD23 ' A' ' 55' ' ' LEU . 1.7 m -117.12 128.2 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.817 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.73 148.87 45.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -123.67 155.71 37.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -126.73 107.68 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.32 85.47 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.92 -102.94 0.83 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.466 HG22 ' C ' ' A' ' 34' ' ' LYS . 30.4 p -104.46 7.2 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -117.84 156.86 27.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.5 m -144.14 139.84 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.54 115.95 23.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.919 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.3 tp -100.02 117.22 33.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.92 126.83 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.6 mt -103.6 103.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -77.96 140.64 39.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 68.22 47.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.6 mt -49.84 167.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.443 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -165.36 152.6 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.491 HG13 ' CD ' ' A' ' 22' ' ' GLU . 5.7 m -52.3 -30.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.45 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.75 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.38 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.23 -120.28 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.8 118.93 12.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.551 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 52.5 m-85 -104.82 118.69 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -104.95 143.28 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -122.03 116.4 24.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.5 mtt -94.5 122.42 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.66 ' HB2' HG12 ' A' ' 38' ' ' VAL . 37.5 t -128.56 94.24 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.33 -79.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -132.44 -42.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.53 171.01 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.6 ttm105 -154.77 154.18 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.9 t -148.85 138.21 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 m -117.87 151.14 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -138.89 119.05 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.491 ' O ' HG21 ' A' ' 17' ' ' THR . 52.3 m -76.35 112.53 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 18' ' ' LYS . 8.6 tp -92.27 146.51 23.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 m -117.48 125.53 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.443 HG11 ' C ' ' A' ' 70' ' ' SER . 95.3 t -116.49 115.06 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -81.33 117.04 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.55 135.78 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.515 HD21 ' O ' ' A' ' 22' ' ' GLU . 5.9 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -119.52 147.8 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -64.86 143.33 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -115.14 -28.6 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.403 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 32.5 mt-30 -127.04 106.45 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.85 125.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 16' ' ' LYS . 7.7 tt -60.07 144.66 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.589 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.8 mmmm -137.39 169.74 17.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.477 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 8.0 t -137.38 179.77 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -125.25 168.37 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 17.2 pm0 -106.9 133.82 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 24' ' ' ALA . . . -144.68 168.16 20.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -97.01 152.85 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' OE2' HG22 ' A' ' 71' ' ' VAL . 26.0 mt-10 -39.63 132.4 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.73 -36.28 3.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . . . -60.74 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.078 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 m -130.9 122.79 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.19 172.03 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.2 m -153.22 105.04 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.98 HD13 HD23 ' A' ' 64' ' ' LEU . 4.3 mp -98.57 145.34 26.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -129.98 145.19 51.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.2 p -151.19 143.18 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 11.9 tt0 -106.38 155.04 19.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.647 HD22 ' SG ' ' A' ' 81' ' ' CYS . 82.2 mt -130.35 154.93 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -62.35 -32.36 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -162.48 156.67 21.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.516 ' N ' HG22 ' A' ' 60' ' ' THR . 62.3 t -51.96 111.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.73 152.14 31.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 131.56 21.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.617 HG12 ' HB2' ' A' ' 81' ' ' CYS . 20.1 m -125.28 172.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -145.02 116.39 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.58 ' CD1' HD23 ' A' ' 55' ' ' LEU . 56.5 m95 -78.22 146.4 34.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -135.89 147.7 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.723 ' HB2' HD11 ' A' ' 47' ' ' LEU . 55.0 tttt -112.57 17.99 18.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.29 -142.99 11.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -120.35 176.89 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 m -111.23 140.1 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 42' ' ' LYS . 17.9 mt -98.02 177.08 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -153.96 163.49 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.581 ' HB3' HD13 ' A' ' 55' ' ' LEU . 6.7 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.95 120.69 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.627 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -130.15 103.18 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -101.2 158.53 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -125.0 102.82 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.28 87.34 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.57 -98.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 35' ' ' VAL . 22.6 p -110.67 13.53 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -123.61 164.61 18.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.2 m -142.86 125.01 15.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -110.77 116.44 31.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.98 HD23 HD13 ' A' ' 28' ' ' LEU . 12.2 tp -100.88 139.53 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -129.22 139.44 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.83 100.13 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -79.8 140.07 36.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 73.11 49.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.6 mt -52.44 153.36 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 73' ' ' ASP . 2.4 m -154.52 139.51 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.41 HG22 ' OE2' ' A' ' 22' ' ' GLU . 3.5 m -39.4 -33.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.96 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.6 OUTLIER -54.66 -41.17 69.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.916 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -46.18 100.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.16 -128.46 1.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.01 110.86 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.443 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 58.7 m-85 -97.43 120.23 37.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -114.05 141.5 47.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.0 t -122.15 120.63 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.0 mtt -95.82 129.6 43.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.647 ' SG ' HD22 ' A' ' 32' ' ' LEU . 37.4 t -133.14 95.05 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.15 -87.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -125.55 -40.06 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.22 170.98 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -156.33 141.15 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 163.82 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.7 p -146.77 156.31 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.38 126.17 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.423 ' O ' HG21 ' A' ' 17' ' ' THR . 83.6 m -84.6 114.1 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.0 tp -82.47 144.49 30.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.5 m -104.53 127.32 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.916 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 38.4 t -123.98 127.84 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -104.26 122.39 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 151.38 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.919 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.773 0.321 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -115.24 137.33 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -53.62 138.87 33.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 p -113.8 -26.73 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -128.39 113.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -38.64 147.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 16' ' ' LYS . 1.9 tt -71.8 133.3 45.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -118.74 170.59 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.667 HG21 ' HA ' ' A' ' 90' ' ' LEU . 8.7 t -154.16 -179.29 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -126.58 171.84 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 7.8 pt-20 -111.03 115.51 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.02 166.78 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.1 t -92.12 161.13 14.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' HD21 ' A' ' 95' ' ' LEU . 16.0 mt-10 -49.04 131.91 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.24 -26.97 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -175.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 m -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.614 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -85.21 173.43 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -153.06 110.61 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.794 HD13 HD23 ' A' ' 64' ' ' LEU . 4.1 mp -110.29 119.22 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -117.72 138.75 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.55 -179.67 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -128.91 165.12 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.44 HD22 ' SG ' ' A' ' 81' ' ' CYS . 30.2 mt -144.41 154.82 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -61.81 -29.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -163.18 153.57 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.607 HG22 ' H ' ' A' ' 60' ' ' THR . 60.1 t -54.05 114.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.51 152.95 28.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.68 17.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' SG ' ' A' ' 81' ' ' CYS . 3.8 m -128.66 170.14 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.88 132.87 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.853 ' CE3' HD22 ' A' ' 64' ' ' LEU . 30.3 m95 -88.8 145.16 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -137.49 147.35 45.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -113.38 17.38 18.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 146.76 -143.52 11.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.47 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.0 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.39 172.91 7.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -115.67 138.86 50.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.28 177.04 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -150.66 168.85 23.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -118.81 117.91 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.628 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.1 144.81 51.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -131.84 144.24 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 18.1 tp60 -93.95 154.67 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 11.3 m-20 -155.7 165.0 37.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.13 106.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.607 ' H ' HG22 ' A' ' 35' ' ' VAL . 74.6 p 47.11 30.05 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -146.09 142.42 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.5 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.41 127.42 53.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.853 HD22 ' CE3' ' A' ' 40' ' ' TRP . 9.1 tp -117.29 123.63 47.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -114.04 135.59 53.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 mt -115.01 97.69 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -73.72 155.37 39.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 52.34 47.85 23.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.3 mt -47.38 171.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -168.27 143.85 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.42 HG13 ' CG ' ' A' ' 22' ' ' GLU . 6.9 m -49.54 -34.01 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -28.3 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.14 -31.24 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -55.78 106.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.67 -122.67 0.79 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.523 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -135.63 110.17 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.42 119.05 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.43 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 6.8 m -110.57 150.1 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.95 121.85 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.427 ' CE ' ' HE ' ' A' ' 85' ' ' ARG . 47.0 mtt -97.31 121.75 39.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.482 ' SG ' HG12 ' A' ' 38' ' ' VAL . 44.7 t -132.83 107.1 8.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.63 -91.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -127.31 -30.0 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.24 177.78 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' NH2' ' HB2' ' A' ' 78' ' ' SER . 56.5 ttt-85 -166.69 137.88 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.7 t -132.21 163.33 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.9 p -142.44 146.47 34.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -140.84 125.92 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -82.43 114.47 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.667 ' HA ' HG21 ' A' ' 17' ' ' THR . 6.2 tp -83.11 151.81 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.506 HG22 ' NE ' ' A' ' 93' ' ' ARG . 57.6 m -113.57 126.62 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.531 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 92.3 t -127.38 115.36 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.506 ' NE ' HG22 ' A' ' 91' ' ' THR . 0.0 OUTLIER -88.59 127.61 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.68 151.13 39.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 22' ' ' GLU . 5.1 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.545 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.774 0.321 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -144.34 -179.25 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -98.45 134.03 42.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -111.36 -12.55 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 14' ' ' ASP . 7.8 mm100 -143.02 108.81 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.3 m-20 -35.72 124.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 6.3 tp -48.3 128.24 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -104.89 146.63 28.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.614 HG21 ' O ' ' A' ' 89' ' ' THR . 4.4 t -128.08 173.93 9.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.71 154.14 48.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.7 pt-20 -99.23 127.35 45.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.649 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -135.05 167.57 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -94.91 170.78 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.14 136.15 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.69 -23.9 9.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -177.55 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -120.16 133.61 55.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -85.95 179.46 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 m -159.66 109.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.652 HD13 HD23 ' A' ' 64' ' ' LEU . 3.2 mp -111.99 133.69 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -123.18 140.51 52.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 9.8 p -144.98 137.23 25.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -91.62 172.65 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD22 ' SG ' ' A' ' 81' ' ' CYS . 61.5 mt -153.15 150.47 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -63.8 -28.77 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.545 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 6.8 pttt -160.54 151.5 18.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.62 HG22 ' H ' ' A' ' 60' ' ' THR . 48.0 t -55.35 112.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.95 152.13 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.38 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG12 ' SG ' ' A' ' 81' ' ' CYS . 5.6 m -108.28 158.85 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -125.36 131.95 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.835 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 m95 -91.4 144.36 25.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.719 ' HE3' HG23 ' A' ' 46' ' ' THR . 23.1 mttp -136.35 146.37 46.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.678 ' HB2' HD11 ' A' ' 47' ' ' LEU . 26.0 tttt -111.69 19.47 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.18 -142.86 11.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -121.39 170.3 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.719 HG23 ' HE3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -112.27 139.52 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' A' ' 42' ' ' LYS . 93.6 mt -100.86 -177.03 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -156.83 155.23 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.528 ' HB3' HD13 ' A' ' 55' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.362 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -104.36 109.11 20.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.835 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -111.5 118.07 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -114.3 139.61 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 13.2 tp60 -99.68 150.12 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 3.0 m-20 -148.56 165.15 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.34 108.61 0.23 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.62 ' H ' HG22 ' A' ' 35' ' ' VAL . 68.2 p 44.79 31.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.195 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -151.35 154.03 35.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.3 m -138.65 151.68 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -141.39 107.69 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.797 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.9 tp -98.11 145.25 26.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.439 ' H ' HD12 ' A' ' 64' ' ' LEU . 23.7 mt-30 -131.28 141.34 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 mt -121.21 89.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -65.52 152.33 44.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 52.83 54.99 9.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.649 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.6 mt -53.06 171.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.617 ' O ' HG11 ' A' ' 92' ' ' VAL . 32.9 t -167.81 164.4 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.93 -19.21 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.93 -24.54 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.92 -25.05 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.835 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -63.03 102.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.58 -121.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -138.12 108.75 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.537 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.7 m-85 -98.79 120.78 39.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -113.19 145.87 40.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 19.5 t -119.68 121.44 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.554 ' HE1' ' HB2' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -95.83 122.07 38.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.637 ' SG ' HD22 ' A' ' 32' ' ' LEU . 43.9 t -133.12 95.82 3.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.36 -103.81 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -118.14 -19.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.61 176.71 7.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.4 ttp180 -164.99 147.28 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 6.9 t -142.84 154.44 44.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.0 p -135.82 142.17 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 15' ' ' LEU . . . -134.39 96.38 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.614 ' O ' HG21 ' A' ' 17' ' ' THR . 24.1 m -50.59 120.4 4.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 91' ' ' THR . 4.2 tp -87.97 148.95 24.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 94.1 m -111.22 130.51 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.835 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 59.1 t -127.63 125.28 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -97.08 127.22 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -77.27 123.58 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.763 0.316 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -122.59 137.62 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 69.6 m-85 -61.32 135.22 57.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.0 p -111.43 -16.37 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.5 105.71 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.31 127.63 2.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.566 ' HB2' HG21 ' A' ' 86' ' ' THR . 8.0 tt -62.16 137.03 58.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -124.22 -179.6 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 89' ' ' THR . 5.6 t -147.0 -176.17 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -131.51 166.69 20.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.0 pt-20 -108.97 109.95 21.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -117.05 168.06 10.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.1 p -90.32 161.19 15.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -51.85 137.44 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 -4.54 83.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.39 -175.09 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 66' ' ' ILE . 16.3 m -129.74 106.11 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -62.69 -175.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -165.65 109.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD13 HD23 ' A' ' 64' ' ' LEU . 4.8 mp -103.54 152.62 21.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -135.4 138.8 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 p -145.21 139.06 26.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -100.36 163.67 12.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 ' SG ' ' A' ' 81' ' ' CYS . 24.6 mt -139.51 160.08 40.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -67.3 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' C ' HG22 ' A' ' 60' ' ' THR . 10.9 pttm -165.05 163.9 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.92 114.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.34 19.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.01 10.66 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.6 -178.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -155.73 117.92 4.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.967 ' CD1' HD22 ' A' ' 55' ' ' LEU . 42.3 m95 -78.19 150.25 33.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -143.4 153.92 43.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.522 ' CB ' HD11 ' A' ' 47' ' ' LEU . 63.5 tttt -123.16 13.42 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 150.11 -141.35 8.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.2 Cg_endo -69.81 3.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -116.86 166.7 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m -110.3 140.02 44.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.851 HD22 ' CE2' ' A' ' 53' ' ' TYR . 6.8 mt -114.07 158.93 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 28.0 mmm180 -151.8 138.9 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.569 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.851 ' CE2' HD22 ' A' ' 47' ' ' LEU . 57.5 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.874 0.369 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -107.86 96.12 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.967 HD22 ' CD1' ' A' ' 40' ' ' TRP . 0.8 OUTLIER -94.71 123.72 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -120.44 121.67 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.14 132.9 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.53 69.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 -107.76 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.429 HG22 ' C ' ' A' ' 34' ' ' LYS . 14.4 p -99.68 27.69 5.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.775 0.321 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -145.63 155.67 43.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.7 m -139.68 139.57 36.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -122.1 110.85 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.777 HD12 ' N ' ' A' ' 65' ' ' GLN . 3.9 tp -92.16 137.24 32.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.777 ' N ' HD12 ' A' ' 64' ' ' LEU . 22.2 mt-30 -127.49 137.24 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.444 HG23 ' CE1' ' A' ' 53' ' ' TYR . 6.2 mt -124.0 94.74 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -71.59 154.1 41.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.55 54.37 5.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.7 mt -57.67 164.25 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -161.67 160.1 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 71' ' ' VAL . 1.6 m -61.55 -31.61 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.067 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.51 -26.67 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.56 -19.38 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.657 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -66.75 101.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.66 -132.7 2.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -133.14 112.4 11.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.476 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 35.6 m-85 -99.31 122.73 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -107.99 144.45 35.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.75 114.91 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.5 mtt -96.28 128.23 43.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 12.0 t -132.75 97.35 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.35 -84.98 0.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -122.78 -44.05 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.48 166.38 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 86' ' ' THR . 51.8 ttp180 -158.66 153.77 25.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.566 HG21 ' HB2' ' A' ' 15' ' ' LEU . 1.2 t -137.33 159.89 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -136.71 152.03 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.44 118.69 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.54 ' O ' HG21 ' A' ' 17' ' ' THR . 98.5 m -76.28 112.51 12.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.07 138.36 39.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -106.23 132.95 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.657 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 21.2 t -128.1 114.14 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -84.41 109.55 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.96 138.35 57.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.938 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.782 0.325 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -112.77 147.66 36.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -70.35 142.26 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -114.97 -29.13 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ASP . 3.7 mm100 -125.42 109.54 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' GLN . 9.7 p-10 -37.39 146.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.3 tt -59.77 143.04 52.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.677 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.0 tmtt? -117.44 146.84 43.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 89' ' ' THR . 4.9 t -140.56 176.48 8.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.611 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -141.27 170.0 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -110.79 131.08 55.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.799 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -136.81 168.15 20.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.0 p -90.26 168.54 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' OE2' HG22 ' A' ' 71' ' ' VAL . 31.0 mt-10 -59.35 119.52 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.69 -22.47 33.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.495 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . . . -70.42 -176.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.0 m -120.24 127.9 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' HB3' HD12 ' A' ' 66' ' ' ILE . . . -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 m -157.58 108.15 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.54 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.2 mp -110.13 120.63 43.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.49 137.24 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.2 p -140.07 174.43 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -133.46 166.23 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD22 ' SG ' ' A' ' 81' ' ' CYS . 24.4 mt -145.65 154.37 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 t -60.23 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -168.48 155.29 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.469 HG22 ' C ' ' A' ' 59' ' ' GLY . 36.3 t -50.51 109.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 150.42 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.45 40.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.496 HG12 ' CB ' ' A' ' 81' ' ' CYS . 33.5 m -137.39 171.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.23 116.89 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.622 ' CD1' HD23 ' A' ' 55' ' ' LEU . 42.4 m95 -74.19 147.16 42.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -143.77 152.05 40.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 37.9 tttm -121.14 21.41 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.12 -144.16 13.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.88 167.36 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.7 m -114.62 147.91 38.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.407 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.4 mt -114.19 -178.0 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -166.54 157.7 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.874 0.369 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -122.41 117.9 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.622 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -117.78 124.57 48.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -117.04 125.63 51.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -96.34 107.74 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -104.57 80.93 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.469 ' C ' HG22 ' A' ' 35' ' ' VAL . . . 64.65 -97.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 35' ' ' VAL . 76.8 p -111.51 27.02 10.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 111.119 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 14.7 mtm105 -140.99 151.64 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.8 m -132.21 137.51 47.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.92 108.26 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD13 ' HG ' ' A' ' 55' ' ' LEU . 21.2 tp -98.59 131.9 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -120.98 120.69 36.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 26' ' ' ALA . 14.7 mt -97.57 89.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -70.32 137.64 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.28 47.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.799 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.4 mt -47.94 164.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -162.57 145.62 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.433 HG22 ' OE2' ' A' ' 22' ' ' GLU . 4.8 m -50.23 -22.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.34 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -30.35 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -54.8 102.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.3 -121.54 0.75 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.56 112.85 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 90.7 m-85 -97.22 117.99 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -104.62 145.57 30.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.0 mtt -95.71 125.94 40.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.599 ' SG ' HD22 ' A' ' 32' ' ' LEU . 53.8 t -131.87 97.19 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.85 -87.69 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -121.06 -37.7 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.41 174.6 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -165.06 147.2 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.592 HG23 HD12 ' A' ' 15' ' ' LEU . 7.0 t -135.45 163.47 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -145.04 140.68 28.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.566 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -140.75 110.25 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' HG21 ' A' ' 17' ' ' THR . 96.5 m -68.62 124.75 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.6 tp -94.09 149.63 21.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 30.9 m -116.92 121.93 42.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 86.9 t -117.12 127.46 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -93.47 138.81 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.61 141.49 32.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -109.9 160.43 16.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -77.72 141.52 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.3 p -113.98 -23.43 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASP . 23.8 mm-40 -134.72 108.18 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' GLN . 5.9 t0 -36.43 154.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.867 HD22 ' CB ' ' A' ' 88' ' ' ALA . 1.8 tt -59.47 153.52 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.796 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -121.88 153.99 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -168.9 175.8 5.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -149.23 179.96 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.466 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 3.9 pt-20 -113.75 110.33 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.839 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -109.31 168.5 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.086 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -86.4 169.27 13.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.58 126.75 28.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.08 -19.19 55.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -174.81 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 m -127.0 119.12 25.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.562 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -80.82 -175.99 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.421 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 22.4 m -168.23 105.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.684 HD13 HD23 ' A' ' 64' ' ' LEU . 3.6 mp -98.4 120.32 38.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.48 130.0 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.29 156.18 49.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -118.78 161.73 19.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.536 HD22 ' SG ' ' A' ' 81' ' ' CYS . 25.5 mt -138.82 163.9 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -76.78 -25.7 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -147.59 -178.88 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 59' ' ' GLY . 21.4 t -93.59 98.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.34 60.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 114.29 3.65 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG11 HD11 ' A' ' 32' ' ' LEU . 5.1 m -106.65 176.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -146.78 132.11 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.803 ' CD1' HD23 ' A' ' 55' ' ' LEU . 30.6 m95 -87.85 144.89 26.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -133.75 145.06 49.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.84 ' HB2' HD11 ' A' ' 47' ' ' LEU . 40.0 tttp -111.21 20.69 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 142.87 -143.4 12.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.73 3.77 2.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -118.96 174.65 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m -113.17 137.8 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 42' ' ' LYS . 74.6 mt -99.52 173.86 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -150.59 164.75 35.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.747 ' HB3' HD13 ' A' ' 55' ' ' LEU . 1.8 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -101.33 108.26 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.803 HD23 ' CD1' ' A' ' 40' ' ' TRP . 2.2 mp -110.59 133.32 53.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -133.06 131.09 40.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -102.51 108.56 19.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -97.73 72.54 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 71.33 -91.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -113.18 31.72 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -151.03 153.82 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.5 m -131.42 145.07 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -129.51 108.83 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.684 HD23 HD13 ' A' ' 28' ' ' LEU . 28.3 tp -100.66 121.57 41.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 26' ' ' ALA . 6.8 mt -109.91 90.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -69.41 146.23 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.53 53.28 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.839 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.0 mt -52.22 158.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.549 ' C ' HG11 ' A' ' 92' ' ' VAL . 9.5 p -159.18 160.67 35.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -26.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.91 56.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.65 -29.24 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.562 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -60.08 101.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.49 -122.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -139.74 112.75 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -100.02 128.16 46.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.57 148.03 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 t -126.09 113.83 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.6 mtt -95.69 124.89 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.536 ' SG ' HD22 ' A' ' 32' ' ' LEU . 14.9 t -130.7 96.8 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.42 -87.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -125.63 -29.26 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.927 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -86.18 165.6 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -159.16 143.43 15.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.408 HG23 HD12 ' A' ' 15' ' ' LEU . 6.8 t -128.63 151.36 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.4 p -123.9 148.04 47.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.867 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -141.43 105.06 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.6 m -69.87 114.39 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 18' ' ' LYS . 5.7 tp -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -111.94 142.34 44.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.562 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 98.2 t -129.22 119.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -85.29 119.71 25.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -76.37 129.09 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.718 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.81 0.338 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -136.22 138.45 41.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -58.05 141.34 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -117.98 -21.59 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -134.68 123.25 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.44 144.53 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.7 tt -64.74 136.24 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -111.32 171.03 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.441 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 11.5 t -160.16 174.33 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -129.95 169.73 14.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 45.7 tt0 -111.53 109.98 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB2' ' HE3' ' A' ' 18' ' ' LYS . . . -119.07 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 31.0 t -94.53 164.5 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -47.44 139.47 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.34 -17.71 12.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -74.31 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.7 m -121.93 120.48 34.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -80.33 178.09 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -157.36 108.17 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.91 HD13 HD23 ' A' ' 64' ' ' LEU . 1.2 mp -111.3 134.84 52.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -122.47 145.49 48.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 p -144.13 134.24 24.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.87 157.47 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.0 mt -138.84 147.01 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -55.7 -28.06 53.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.718 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 11.0 pttt -162.3 159.32 25.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.59 HG22 ' H ' ' A' ' 60' ' ' THR . 50.0 t -59.97 112.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.46 147.0 19.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.0 10.66 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.77 177.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -140.58 136.5 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.73 ' CE3' HD22 ' A' ' 64' ' ' LEU . 56.6 m95 -95.29 141.12 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -129.98 147.47 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.688 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.6 tttm -114.13 15.97 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.7 -143.16 10.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.8 4.16 2.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -120.23 178.14 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.7 m -118.09 139.45 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.4 mt -100.25 -175.98 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.5 mtm-85 -155.8 167.16 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 49' ' ' ASP . 1.9 p-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.383 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -113.98 117.13 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -128.84 124.17 34.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -113.38 131.13 56.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -92.34 149.58 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -147.87 176.29 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.61 104.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.59 ' H ' HG22 ' A' ' 35' ' ' VAL . 22.5 p 41.25 32.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -152.48 118.35 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.52 155.18 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -137.27 122.48 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.91 HD23 HD13 ' A' ' 28' ' ' LEU . 38.2 tp -106.86 129.61 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -126.6 124.55 40.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.0 mt -105.72 108.6 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.47 145.3 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t0 59.37 52.65 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.4 mt -48.8 177.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -170.63 154.32 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -16.96 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.91 -33.06 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.36 -24.99 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.711 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -64.0 102.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.5 -119.85 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -139.38 110.98 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.95 123.32 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.7 m -117.09 145.1 43.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.5 t -122.46 116.3 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -94.52 128.83 41.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 t -132.89 94.24 3.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.35 -85.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.52 -43.95 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -61.93 170.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -163.53 136.06 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.8 t -130.0 162.03 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.2 p -139.03 149.81 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -141.95 123.44 14.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.067 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 m -83.46 108.83 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -84.43 144.65 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.2 m -112.76 132.01 55.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.711 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 46.6 t -126.17 135.32 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -108.4 138.8 44.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.32 134.99 34.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.735 0.303 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HG2' ' CB ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -134.62 -177.51 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -104.97 139.37 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.0 p -113.62 -21.8 10.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -129.76 109.86 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.79 134.52 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.787 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.6 tt -44.51 146.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.759 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.3 tmmm? -118.1 153.41 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.475 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 7.0 t -150.42 178.68 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.835 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -146.64 157.99 43.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -96.47 126.4 41.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB2' ' NZ ' ' A' ' 18' ' ' LYS . . . -136.54 167.88 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.082 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -97.3 168.16 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -49.86 139.23 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.27 -26.91 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.4 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . . . -64.68 -179.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 m -124.95 121.39 34.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.598 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -87.25 134.48 33.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.1 m -118.45 119.43 34.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.2 mp -116.66 137.41 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -127.23 139.09 53.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -143.53 140.24 30.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -98.55 162.49 13.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.7 mt -136.52 159.38 41.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.433 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 5.3 t -65.95 -27.78 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -164.76 158.72 17.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.8 t -55.18 113.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 154.53 31.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 142.94 49.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 178.08 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -158.4 110.87 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.683 ' CD1' HD13 ' A' ' 55' ' ' LEU . 47.6 m95 -70.99 144.59 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 18.9 mttp -138.42 148.02 43.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -120.11 33.77 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 131.75 -145.72 17.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.7 Cg_endo -69.76 3.11 2.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -116.39 172.47 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 m -118.82 141.82 48.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 41' ' ' LYS . 5.1 mp -110.45 171.16 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -147.89 -176.73 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.464 ' CE1' HG23 ' A' ' 66' ' ' ILE . 4.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -141.12 117.37 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.683 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.74 146.54 51.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -130.85 144.9 51.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -105.82 130.57 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.94 93.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.89 -100.38 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -109.51 34.45 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -143.36 149.25 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -135.24 120.09 18.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -107.15 123.48 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.662 HD22 ' CE3' ' A' ' 40' ' ' TRP . 29.6 tp -111.3 117.76 34.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -116.5 111.28 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.464 HG23 ' CE1' ' A' ' 53' ' ' TYR . 13.3 mt -97.13 105.96 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -81.73 142.22 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t0 72.08 54.71 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.598 HD11 ' HB2' ' A' ' 26' ' ' ALA . 15.2 mt -57.98 166.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -160.75 150.74 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 94' ' ' ALA . 11.6 m -57.19 -20.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.47 -25.22 33.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.33 -27.61 59.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.617 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -58.19 103.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.15 -123.89 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -132.73 112.57 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 83.8 m-85 -97.71 116.17 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.39 140.51 45.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.3 t -119.39 122.23 41.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.9 mtt -97.99 129.07 44.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 t -132.58 96.57 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.81 -81.51 0.64 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.31 -44.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.98 173.55 4.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -162.62 143.8 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.685 HG23 HD12 ' A' ' 15' ' ' LEU . 5.3 t -132.61 147.84 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.9 p -127.15 146.35 50.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.67 108.18 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.6 m -68.32 123.6 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.0 tp -101.87 144.79 30.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.3 m -109.02 140.05 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.617 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 99.1 t -129.82 135.02 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.17 125.23 50.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.433 ' HB2' HG11 ' A' ' 71' ' ' VAL . . . -68.51 148.14 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.92 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.798 0.332 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.484 ' CD ' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -139.58 174.97 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 67.1 m-85 -93.95 137.52 33.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.6 p -112.8 -20.21 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 9.6 mm100 -134.28 110.82 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.72 122.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 6.2 tp -58.99 138.96 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -124.57 -179.44 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.673 HG21 ' O ' ' A' ' 89' ' ' THR . 3.4 t -145.35 179.37 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.563 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.55 161.46 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -103.1 136.26 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -145.16 167.09 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 44.1 t -91.26 163.13 14.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -50.18 143.09 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.86 -11.01 16.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -78.0 -179.1 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.7 m -121.17 119.93 33.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.471 ' N ' HD11 ' A' ' 69' ' ' LEU . . . -74.18 168.51 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -155.69 105.93 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.681 HD13 HD23 ' A' ' 64' ' ' LEU . 5.0 mp -104.33 148.68 26.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -131.33 141.24 49.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.468 ' HB3' HD13 ' A' ' 15' ' ' LEU . 6.8 p -148.35 152.08 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 10.3 tt0 -109.1 169.99 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.6 mt -150.46 153.66 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.484 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 16.0 t -62.93 -29.62 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -162.17 158.92 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 60' ' ' THR . 42.6 t -59.66 114.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.99 151.37 27.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.719 . . . . 0.0 111.065 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 123.35 10.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.223 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -121.9 167.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -138.9 133.9 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.833 ' CE3' HD22 ' A' ' 64' ' ' LEU . 28.9 m95 -91.07 147.67 22.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.02 149.98 49.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 44.3 tttm -118.79 11.81 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 151.43 -141.4 8.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.6 Cg_endo -69.75 2.79 3.21 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -115.37 171.82 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -114.03 143.58 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.7 mt -114.93 150.67 35.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -150.03 148.63 29.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.363 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -120.69 116.04 24.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -125.84 109.47 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -104.81 134.38 48.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 15.5 tp60 -90.32 152.0 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 4.9 t70 -152.34 162.48 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.34 105.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.459 ' H ' HG22 ' A' ' 35' ' ' VAL . 2.4 p 48.82 30.92 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.11 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -152.03 145.23 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -138.93 141.81 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -127.56 114.52 17.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.833 HD22 ' CE3' ' A' ' 40' ' ' TRP . 12.7 tp -99.35 141.83 31.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -133.71 137.43 45.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 26' ' ' ALA . 9.7 mt -115.99 96.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -71.01 134.46 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t0 74.71 53.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 26' ' ' ALA . 17.6 mt -55.58 163.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.56 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -168.28 152.07 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -27.6 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.06 -32.01 56.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.14 -26.02 67.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.801 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -66.14 103.38 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.26 -130.14 1.46 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.443 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -131.27 107.85 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 87.6 m-85 -97.08 116.41 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.27 136.37 49.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -117.04 116.23 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.5 mtt -94.55 125.81 39.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -130.67 95.97 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.13 -97.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -115.93 -31.91 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.18 169.79 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 12.8 ttp-105 -160.39 150.13 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 15' ' ' LEU . 8.9 t -145.8 158.34 43.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.4 p -139.62 152.77 47.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.43 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -144.05 111.55 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.673 ' O ' HG21 ' A' ' 17' ' ' THR . 94.4 m -67.56 114.72 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 18' ' ' LYS . 7.2 tp -79.44 152.74 30.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 88.7 m -115.69 126.98 54.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.801 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.7 t -122.12 112.88 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mmp_? -90.06 122.96 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.61 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.542 ' N ' ' HZ3' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -113.28 137.04 52.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 87.1 m-85 -60.55 143.47 53.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.1 p -115.45 -28.73 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -128.65 112.16 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.07 148.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.727 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 1.8 tt -66.96 129.2 39.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.8 mmmm -110.45 167.38 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 89' ' ' THR . 3.2 t -148.13 178.56 8.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -127.93 170.25 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 6.9 pt-20 -110.24 109.98 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -117.75 165.18 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -92.89 157.91 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -48.0 132.23 15.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.42 6.0 86.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.84 179.7 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -117.5 118.22 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -81.65 168.35 18.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.52 HG22 ' OE1' ' A' ' 29' ' ' GLN . 3.4 m -150.61 114.26 4.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD13 HD23 ' A' ' 64' ' ' LEU . 5.1 mp -106.2 139.65 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.52 ' OE1' HG22 ' A' ' 27' ' ' THR . 2.6 mp0 -122.22 131.37 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.03 157.93 45.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -117.25 167.73 10.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.1 mt -143.39 163.58 32.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -74.52 -22.51 59.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HZ3' ' N ' ' A' ' 9' ' ' ALA . 12.8 pttm -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.4 HG22 ' C ' ' A' ' 59' ' ' GLY . 49.6 t -51.73 115.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.96 153.83 27.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.54 33.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.748 2.299 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.401 HG12 ' HB2' ' A' ' 81' ' ' CYS . 21.5 m -137.92 166.11 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -141.6 121.25 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.914 ' CD1' HD23 ' A' ' 55' ' ' LEU . 26.1 m95 -79.48 149.76 31.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -140.04 149.69 43.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' A' ' 47' ' ' LEU . 24.0 tttt -120.84 17.62 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.27 -143.11 10.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 54.0 Cg_endo -69.73 3.05 2.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.7 170.56 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -111.28 149.61 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 42' ' ' LYS . 7.3 mt -125.24 155.82 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -158.51 158.37 33.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 66' ' ' ILE . 95.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.22 118.64 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.914 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.2 OUTLIER -119.72 108.5 14.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -101.18 143.03 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -112.44 108.31 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -106.46 84.09 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.4 ' C ' HG22 ' A' ' 35' ' ' VAL . . . 66.33 -105.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 55.3 p -104.79 14.92 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -129.8 151.71 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.6 m -129.42 151.68 49.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -134.58 118.1 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD23 HD13 ' A' ' 28' ' ' LEU . 21.4 tp -103.34 139.49 38.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -128.03 127.92 44.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.45 HG23 ' CE1' ' A' ' 53' ' ' TYR . 9.9 mt -113.16 96.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -73.95 152.69 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 56.48 50.94 12.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.7 mt -53.49 177.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 73' ' ' ASP . 1.8 m -174.33 138.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.8 m -43.51 -34.02 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.6 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' SER . 5.1 m-20 -60.6 -38.63 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -45.9 106.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.51 -125.92 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -136.26 114.08 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.577 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 85.1 m-85 -97.11 117.12 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -111.28 142.08 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.7 t -122.68 123.5 41.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -100.99 126.77 47.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 38.5 t -129.32 97.3 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.62 -84.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -125.25 -39.19 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 169.85 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -160.16 146.47 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 13.3 t -134.76 162.12 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.3 p -136.51 149.01 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.727 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.75 126.86 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.668 ' O ' HG21 ' A' ' 17' ' ' THR . 71.8 m -90.45 106.47 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.41 ' HA ' HG21 ' A' ' 17' ' ' THR . 7.7 tp -74.5 148.05 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -111.09 128.97 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.724 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 50.8 t -127.15 119.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -96.85 125.52 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.35 146.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.32 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.467 ' HD3' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -129.41 176.57 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -93.66 138.19 32.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.2 p -113.43 -27.53 7.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.432 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.2 mm-40 -127.3 104.77 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.6 p30 -36.14 129.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.8 tt -44.96 150.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.844 ' N ' HD23 ' A' ' 15' ' ' LEU . 13.9 tptt -136.21 153.61 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.497 HG21 ' O ' ' A' ' 89' ' ' THR . 13.9 t -136.14 -174.96 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.659 ' HE2' ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -132.69 -177.57 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 13.1 tt0 -120.31 109.79 15.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB2' ' HE2' ' A' ' 18' ' ' LYS . . . -122.08 168.38 12.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -102.14 169.62 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -50.96 143.09 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.58 2.77 81.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -85.15 -174.19 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 26' ' ' ALA . 7.7 m -124.66 99.22 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.806 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -40.74 162.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.4 m -164.8 109.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HB3' HD21 ' A' ' 15' ' ' LEU . 5.1 mp -122.17 134.44 54.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -118.49 135.0 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.3 p -134.52 178.87 6.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 5.9 tt0 -134.55 166.05 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.4 mt -147.51 154.13 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.467 ' CB ' ' HD3' ' A' ' 10' ' ' ARG . 35.9 t -66.31 -23.71 66.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -162.44 158.43 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.42 104.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.83 149.31 35.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 129.72 18.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.46 170.86 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -132.8 133.06 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.845 ' CD1' HD23 ' A' ' 55' ' ' LEU . 45.2 m95 -94.56 149.5 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.6 mttt -138.29 147.12 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.804 ' HB2' HD11 ' A' ' 47' ' ' LEU . 44.3 tttm -112.17 15.68 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.81 -142.69 10.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.58 174.47 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -114.45 137.04 52.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 42' ' ' LYS . 83.8 mt -99.05 -178.03 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 2.1 mpp_? -157.11 167.8 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.635 ' HB3' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -124.79 114.88 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.845 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.1 mp -116.65 103.49 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -97.53 118.22 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -89.53 153.42 20.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -157.85 177.8 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.45 103.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p 39.51 38.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -156.26 133.89 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.1 m -127.02 147.24 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -128.02 113.91 16.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.459 HD23 HD13 ' A' ' 28' ' ' LEU . 22.8 tp -96.66 127.5 42.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -122.17 130.4 53.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.803 HD12 ' CB ' ' A' ' 26' ' ' ALA . 6.6 mt -115.18 95.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -67.63 138.24 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 t70 74.92 52.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.806 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -55.97 163.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -171.5 155.64 4.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.77 -31.54 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.07 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.62 -13.4 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.703 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -72.99 100.3 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.63 -120.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.532 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.77 136.7 34.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -118.96 129.89 55.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LYS . 14.8 m -119.17 140.47 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.22 120.15 31.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -98.46 131.36 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.52 95.48 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.77 -87.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -123.25 -37.06 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.69 167.77 17.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -154.67 150.85 28.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 4.2 t -144.45 160.39 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.9 t -139.36 157.71 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.505 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -152.88 125.56 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.497 ' O ' HG21 ' A' ' 17' ' ' THR . 92.6 m -87.55 116.62 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.582 HD11 ' NZ ' ' A' ' 18' ' ' LYS . 3.7 tp -84.32 145.42 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.412 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 10.3 m -113.18 122.7 48.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.703 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 22.0 t -119.55 134.17 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -103.39 125.65 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.0 138.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.794 0.331 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -124.92 141.69 51.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -58.84 139.18 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -113.94 -25.15 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -130.86 111.9 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.6 143.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.733 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.1 tt -53.81 142.75 22.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.725 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.8 tmmm? -108.9 157.39 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 6.0 t -167.55 163.39 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.664 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -136.7 -174.99 3.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -118.57 109.86 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.688 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -112.05 168.95 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -90.35 169.81 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.28 143.08 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.4 -21.21 6.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -173.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.6 m -125.51 112.28 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -64.28 176.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.483 ' N ' ' HE3' ' A' ' 18' ' ' LYS . 55.3 m -168.01 107.69 0.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.797 HD13 HD23 ' A' ' 64' ' ' LEU . 4.9 mp -114.02 124.0 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -116.09 126.71 54.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.0 p -128.89 159.41 35.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -114.29 168.76 9.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.626 HD22 ' SG ' ' A' ' 81' ' ' CYS . 33.8 mt -147.62 156.28 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -61.82 -29.79 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 6.6 pttp -163.19 171.98 15.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 59' ' ' GLY . 85.4 t -67.98 108.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -147.92 156.43 44.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.698 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.83 130.08 18.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.56 HG12 ' HB2' ' A' ' 81' ' ' CYS . 26.6 m -122.86 166.98 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -143.89 119.8 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.937 ' CD1' HD23 ' A' ' 55' ' ' LEU . 38.7 m95 -79.56 144.87 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HE3' HG23 ' A' ' 46' ' ' THR . 21.5 mttt -139.8 147.24 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.4 tttt -112.07 7.81 19.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 155.9 -141.77 8.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.1 Cg_endo -69.84 4.23 2.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.296 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -118.15 170.97 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.456 HG23 ' HE3' ' A' ' 41' ' ' LYS . 1.2 m -116.49 133.85 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 42' ' ' LYS . 9.9 mt -100.35 172.22 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.35 164.49 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.916 0.389 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -123.45 101.12 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.937 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -99.8 141.86 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -134.26 122.86 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -94.52 115.01 27.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.01 85.11 2.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' HG22 ' A' ' 35' ' ' VAL . . . 68.73 -103.25 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.4 p -108.34 22.76 15.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -137.7 158.28 44.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.9 m -138.22 137.6 37.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.71 119.9 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.797 HD23 HD13 ' A' ' 28' ' ' LEU . 16.0 tp -106.44 122.32 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -112.64 128.37 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.583 HD12 ' CB ' ' A' ' 26' ' ' ALA . 5.2 mt -111.4 89.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -62.91 148.01 48.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.86 44.53 4.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.2 mt -42.24 157.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.416 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -158.05 154.2 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 m -56.43 -22.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.06 61.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.469 ' OD2' HG21 ' A' ' 66' ' ' ILE . 1.1 m-20 -67.98 -31.76 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.731 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -58.94 100.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.24 -122.31 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -139.18 109.89 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -99.7 119.11 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.25 139.34 41.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.7 t -120.66 116.02 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.2 mtt -95.47 127.83 41.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.626 ' SG ' HD22 ' A' ' 32' ' ' LEU . 19.9 t -133.0 96.09 3.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.23 -86.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -126.23 -41.51 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.83 173.47 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -163.63 141.11 7.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.1 t -133.61 157.14 46.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.41 150.92 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -144.65 119.33 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.3 m -74.45 115.36 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 18' ' ' LYS . 16.3 tp -91.58 139.87 30.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 89.2 m -111.31 142.65 43.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.731 HG23 ' HB2' ' A' ' 74' ' ' ALA . 47.9 t -134.39 123.03 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -87.64 125.99 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.85 133.14 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.887 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -110.65 135.92 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -56.95 139.91 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.6 p -115.5 -35.36 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.6 mm-40 -116.27 108.78 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -37.26 139.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.5 tt -67.54 134.03 50.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.589 ' N ' HD23 ' A' ' 15' ' ' LEU . 9.8 mmmt -121.16 173.34 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 89' ' ' THR . 6.9 t -151.18 175.58 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.577 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -126.62 163.97 22.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.468 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 20.0 pm0 -101.23 136.12 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -146.83 168.27 21.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.3 p -91.17 172.56 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -58.59 143.21 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.21 -29.57 3.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -174.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.2 m -130.79 122.97 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.28 -179.38 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.9 m -161.86 105.14 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.94 HD13 HD23 ' A' ' 64' ' ' LEU . 4.7 mp -101.97 145.63 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -136.12 132.23 35.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.31 167.78 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 13.1 tt0 -120.99 162.61 19.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD11 HG11 ' A' ' 38' ' ' VAL . 14.4 mt -136.43 165.3 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 t -66.19 -32.2 73.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HA ' HG22 ' A' ' 60' ' ' THR . 9.3 pttm -164.47 148.17 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.454 HG22 ' HA2' ' A' ' 59' ' ' GLY . 61.0 t -42.97 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.97 152.11 24.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 128.5 16.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.403 HG11 HD11 ' A' ' 32' ' ' LEU . 11.2 m -114.65 175.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.33 116.83 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.657 ' CE3' HD22 ' A' ' 64' ' ' LEU . 20.4 m95 -80.95 154.13 27.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.487 ' HD2' ' HE3' ' A' ' 80' ' ' MET . 21.1 mttt -144.81 142.63 30.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 30.2 tttm -113.75 24.42 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 140.32 -144.1 14.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.523 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 54.4 Cg_endo -69.74 4.52 2.14 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -114.89 171.42 7.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -116.45 148.1 41.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.794 HD22 ' CE2' ' A' ' 53' ' ' TYR . 9.6 mt -116.0 159.12 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 1.7 mmp_? -145.97 140.47 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.794 ' CE2' HD22 ' A' ' 47' ' ' LEU . 79.7 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.856 0.36 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -114.54 104.08 11.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 40' ' ' TRP . 1.2 mt -95.02 150.92 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -134.05 128.36 34.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 27.3 tp60 -91.81 151.95 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 6.7 t70 -164.5 160.7 20.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -44.79 101.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 34' ' ' LYS . 65.7 p 50.75 35.6 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.779 0.323 . . . . 0.0 111.164 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -153.09 148.33 26.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -137.1 147.77 46.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -131.39 110.69 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.94 HD23 HD13 ' A' ' 28' ' ' LEU . 6.5 tp -94.74 142.14 27.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.624 ' N ' HD12 ' A' ' 64' ' ' LEU . 14.7 mt-30 -130.25 111.9 12.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.7 mt -94.14 95.28 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.23 141.09 41.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 73.46 48.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.5 mt -53.1 156.43 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.14 152.92 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.0 m -51.68 -30.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.8 -29.27 64.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -34.52 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.82 98.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.04 -119.54 0.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -139.11 111.33 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.539 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 79.3 m-85 -97.25 117.39 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.2 m -108.41 137.97 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -119.09 125.64 49.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.487 ' HE3' ' HD2' ' A' ' 41' ' ' LYS . 27.9 mtt -101.61 129.24 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.7 t -133.19 100.9 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.96 -86.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -127.06 -40.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -67.18 177.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -166.2 147.94 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -139.84 163.53 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.7 m -134.34 149.72 50.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.49 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -143.31 133.99 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.533 ' O ' HG21 ' A' ' 17' ' ' THR . 62.1 m -97.65 111.4 23.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 18' ' ' LYS . 7.5 tp -80.85 153.1 27.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.458 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 52.7 m -113.51 127.94 56.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.55 135.77 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -109.76 116.81 32.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 152.41 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.904 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.756 0.312 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.57 136.83 49.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.697 ' HA ' HD23 ' A' ' 32' ' ' LEU . 54.2 m-85 -57.6 140.87 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 p -117.38 -31.54 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -128.42 121.79 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -42.79 152.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.0 tt -73.72 128.96 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -112.03 164.12 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.468 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 4.4 t -148.03 177.92 8.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -127.98 163.11 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -98.41 109.98 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -118.02 168.05 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.4 m -103.12 168.03 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -50.72 136.87 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.11 -33.65 3.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 172.22 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 66' ' ' ILE . 14.8 m -116.44 115.69 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -69.7 179.43 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.9 m -156.9 109.04 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.74 HD13 HD23 ' A' ' 64' ' ' LEU . 2.0 mp -110.55 123.06 49.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -120.88 141.49 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.95 160.39 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.73 158.71 19.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 11' ' ' PHE . 36.0 mt -143.04 160.43 40.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 t -61.56 -34.19 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HA ' HG22 ' A' ' 60' ' ' THR . 10.0 pttp -159.49 141.6 13.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 35' ' ' VAL . 7.1 p -46.11 112.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -146.14 155.38 50.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.79 119.88 6.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG11 HD11 ' A' ' 32' ' ' LEU . 10.4 m -119.46 170.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -132.97 132.34 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.811 ' CE3' HD22 ' A' ' 64' ' ' LEU . 75.5 m95 -91.28 145.15 24.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.492 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 18.6 mttp -137.15 148.84 46.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -122.26 34.46 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.44 -145.79 17.35 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.09 2.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -115.67 168.73 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -114.53 127.49 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.6 mt -82.17 178.55 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 5.7 mmm180 -150.62 161.39 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.945 0.402 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -120.35 126.8 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.542 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.76 156.32 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.903 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -138.78 148.64 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -100.81 155.74 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -161.45 155.19 21.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -38.46 111.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 34' ' ' LYS . 70.9 p 39.79 42.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 0.0 111.129 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -161.19 137.53 8.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.3 m -127.5 156.99 41.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -142.94 117.58 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.811 HD22 ' CE3' ' A' ' 40' ' ' TRP . 43.0 tp -111.29 119.94 40.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -117.46 118.46 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 25' ' ' THR . 7.6 mt -100.36 121.09 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -88.66 147.96 24.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.98 54.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 26' ' ' ALA . 14.7 mt -57.96 158.52 6.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 p -164.2 148.36 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 m -44.94 -31.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.34 91.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.717 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -55.94 101.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.54 -113.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.29 111.82 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.366 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -97.08 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.614 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 5.5 m -114.08 136.56 52.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.825 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 t -113.13 120.29 40.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.614 ' HE1' ' HB2' ' A' ' 78' ' ' SER . 0.0 OUTLIER -95.63 129.34 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.3 t -133.0 94.69 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.92 -84.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -120.97 -42.17 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -70.77 158.86 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 86' ' ' THR . 26.7 ttp180 -153.53 154.89 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.432 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 14.0 t -142.92 163.53 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -135.7 150.34 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -144.71 135.93 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -95.73 110.16 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.9 tp -87.12 142.42 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.5 m -111.01 128.5 55.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.717 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.0 t -120.01 132.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -107.35 111.0 23.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.27 160.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.765 0.317 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -135.31 162.14 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.446 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 88.3 m-85 -82.51 136.35 34.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -113.62 -19.08 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ASP . 2.9 mt-30 -134.77 102.15 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -35.89 136.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.79 HD22 ' CB ' ' A' ' 88' ' ' ALA . 2.2 tt -50.56 148.59 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.716 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -124.57 151.68 44.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.446 HG21 ' O ' ' A' ' 89' ' ' THR . 2.3 t -154.8 171.33 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -137.13 -177.34 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -115.61 109.83 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.953 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -107.01 168.29 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 p -93.62 163.9 13.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -55.13 131.69 45.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.7 -19.54 52.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.68 -174.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.371 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.1 m -123.97 114.52 19.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -61.79 178.04 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.469 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 89.1 m -165.84 105.14 0.69 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.69 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.8 mp -113.36 117.94 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -115.08 136.04 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 p -134.6 169.15 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.75 157.84 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' SG ' ' A' ' 81' ' ' CYS . 28.5 mt -136.13 153.17 51.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -65.98 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -166.56 152.94 8.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -48.32 113.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.05 147.4 18.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.18 24.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.386 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.73 168.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -142.52 134.27 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.853 ' CD1' HD23 ' A' ' 55' ' ' LEU . 45.3 m95 -89.34 138.58 31.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -131.03 144.28 51.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.861 ' HB2' HD11 ' A' ' 47' ' ' LEU . 44.8 tttt -117.19 46.34 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.42 -148.3 17.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 4.18 2.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -117.26 171.67 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -118.85 130.13 55.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.3 mt -90.0 174.41 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 1.4 mpp_? -149.28 144.61 26.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.527 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.4 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.544 ' CE1' HG23 ' A' ' 66' ' ' ILE . 97.5 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.92 0.391 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -116.82 120.6 39.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.853 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.9 mp -117.93 141.55 48.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -136.86 121.68 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -96.87 100.35 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.29 75.23 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.27 -98.99 1.04 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.3 p -105.78 9.45 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -125.34 148.8 48.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.3 m -129.54 135.47 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -121.54 124.34 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.618 HD13 ' HG ' ' A' ' 55' ' ' LEU . 20.9 tp -113.44 132.8 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -121.42 131.71 54.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.605 HD12 ' CB ' ' A' ' 26' ' ' ALA . 6.0 mt -110.73 89.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -62.59 144.85 55.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.92 52.78 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.953 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.3 mt -50.0 145.64 5.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.534 ' C ' HG11 ' A' ' 92' ' ' VAL . 25.1 m -145.57 150.73 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -23.33 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.49 60.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -21.19 61.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.892 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -68.5 101.55 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.66 -120.93 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -138.56 114.71 10.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -98.8 119.51 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.78 135.93 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.6 t -120.26 110.34 16.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.5 mtt -96.4 131.64 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.489 ' SG ' HD22 ' A' ' 32' ' ' LEU . 25.3 t -131.48 99.66 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 -84.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -125.39 -41.84 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -66.82 -179.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -166.0 150.47 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -142.0 163.06 33.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -137.65 151.62 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.79 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -145.22 107.75 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.446 ' O ' HG21 ' A' ' 17' ' ' THR . 39.2 m -67.28 121.97 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.0 tp -101.0 138.84 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -112.4 137.32 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.892 HG23 ' HB2' ' A' ' 74' ' ' ALA . 39.4 t -128.07 123.68 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -96.82 124.88 40.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.93 140.66 47.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.745 . . . . 0.0 110.918 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -119.09 135.55 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -54.32 145.97 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -117.62 -29.67 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' ASP . 30.6 mm-40 -130.46 118.9 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' GLN . 8.3 p-10 -37.09 151.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.901 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 3.6 tt -57.96 150.84 19.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.891 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -118.22 117.04 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.528 ' HB ' HD23 ' A' ' 28' ' ' LEU . 9.0 t -120.39 158.25 27.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -125.34 168.32 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.5 pt-20 -111.02 111.9 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.25 168.31 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.66 166.96 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.94 145.7 15.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.26 -39.0 2.25 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.46 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.9 m -118.06 131.32 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -91.77 122.42 34.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.401 HG22 ' OE1' ' A' ' 29' ' ' GLN . 8.2 m -108.11 117.77 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD23 ' HB ' ' A' ' 17' ' ' THR . 4.8 mp -116.79 143.82 45.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.487 ' CD ' ' C ' ' A' ' 28' ' ' LEU . 2.2 mp0 -126.37 138.74 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -141.22 154.74 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 12.0 tt0 -110.95 166.42 11.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.467 HD22 ' SG ' ' A' ' 81' ' ' CYS . 29.9 mt -146.06 159.4 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -66.42 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -167.7 159.46 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -50.67 112.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.5 150.77 21.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.32 25.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -121.56 176.13 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -147.92 119.71 8.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.847 ' CE3' HD22 ' A' ' 64' ' ' LEU . 45.9 m95 -83.09 141.34 32.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -134.21 144.2 48.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HB2' HD11 ' A' ' 47' ' ' LEU . 30.8 tttt -112.97 23.24 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 141.83 -144.41 14.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.6 Cg_endo -69.82 3.9 2.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.27 167.99 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -113.62 140.22 48.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 42' ' ' LYS . 6.2 mt -110.15 170.43 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -143.17 172.62 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.867 0.365 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -114.81 120.43 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.6 146.25 51.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -126.02 152.19 46.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -115.3 128.6 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -130.71 99.1 4.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.65 -105.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.9 p -108.44 31.97 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -146.88 119.46 8.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.0 m -113.06 139.25 48.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' CG ' ' OE1' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -120.59 147.84 44.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.847 HD22 ' CE3' ' A' ' 40' ' ' TRP . 19.3 tp -126.4 118.38 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -110.01 116.28 31.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 26' ' ' ALA . 8.1 mt -101.3 105.49 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -80.39 152.19 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.02 51.4 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.2 mt -56.01 163.09 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.6 p -164.7 141.45 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 m -44.05 -31.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.71 -36.33 80.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.637 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -47.43 104.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.9 -123.56 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.13 111.08 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -97.41 116.33 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -104.52 156.09 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -133.06 118.5 18.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -96.21 127.56 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.467 ' SG ' HD22 ' A' ' 32' ' ' LEU . 47.4 t -132.25 96.02 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 -84.61 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -124.55 -43.58 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.65 177.73 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.9 ttp180 -164.07 156.62 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.48 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 8.9 t -133.87 162.21 32.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -142.4 138.45 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.901 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.37 108.9 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.528 ' O ' HG21 ' A' ' 17' ' ' THR . 23.5 m -63.82 120.75 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.0 tp -88.98 141.45 28.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.3 m -111.69 127.17 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.637 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 88.8 t -122.34 124.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -92.55 118.33 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.77 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -115.79 160.5 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CE1' HD21 ' A' ' 32' ' ' LEU . 51.3 m-85 -81.45 141.01 34.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 p -115.08 -19.53 10.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -144.47 116.5 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -40.87 158.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.936 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -60.3 163.2 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.769 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -131.93 152.85 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 1.1 t -163.79 171.08 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.99 -179.86 5.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 30.5 tt0 -107.51 109.26 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB1' ' CB ' ' A' ' 24' ' ' ALA . . . -117.4 168.87 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 m -102.68 168.6 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.97 140.42 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.8 -28.64 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -59.03 -172.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.2 m -130.27 107.05 8.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.041 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -60.65 124.36 20.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.868 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.4 mp -109.95 120.76 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -119.31 134.56 55.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 p -133.58 164.32 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -117.61 162.96 17.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.52 HD22 ' SG ' ' A' ' 81' ' ' CYS . 92.7 mt -144.53 161.14 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -70.2 -20.2 63.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.31 158.75 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.441 ' N ' HG22 ' A' ' 60' ' ' THR . 21.0 t -61.95 95.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.23 151.88 72.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 139.28 40.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG12 ' SG ' ' A' ' 81' ' ' CYS . 5.3 m -124.98 167.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -130.7 113.89 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CD1' HD23 ' A' ' 55' ' ' LEU . 56.9 m95 -77.66 145.07 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' HE3' HG23 ' A' ' 46' ' ' THR . 13.3 mttp -139.82 150.02 44.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.544 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 44.2 tttp -119.55 15.4 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 148.18 -142.95 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.1 Cg_endo -69.79 3.12 2.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.3 166.54 12.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.462 HG23 ' HE3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -109.22 139.47 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -100.69 178.87 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -157.75 164.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.635 ' HB3' HD13 ' A' ' 55' ' ' LEU . 4.1 p-10 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -108.96 120.61 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.861 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -132.55 123.26 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 57' ' ' GLN . 20.3 ttpt -139.86 157.28 45.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 56' ' ' LYS . 6.4 tp60 -89.47 138.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -131.94 62.47 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.64 91.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 35' ' ' VAL . 63.0 p 50.2 25.73 1.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -150.35 116.72 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.7 m -99.56 134.26 42.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -124.05 112.17 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.659 HD13 ' HG ' ' A' ' 55' ' ' LEU . 14.6 tp -98.47 135.96 39.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -122.8 117.39 25.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 26' ' ' ALA . 30.0 mt -102.09 87.15 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -63.45 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t0 73.81 52.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.041 HD21 ' HB2' ' A' ' 26' ' ' ALA . 13.0 mt -52.82 152.89 3.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -156.48 149.66 24.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.53 HG11 ' HB2' ' A' ' 94' ' ' ALA . 6.0 m -47.46 -36.81 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.72 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.15 -25.32 64.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.692 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -65.19 101.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.64 -121.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -138.17 109.42 6.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.544 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 66.0 m-85 -97.3 117.73 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -102.8 133.47 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 17.7 t -110.79 116.91 32.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -94.37 123.06 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.566 ' SG ' HG12 ' A' ' 38' ' ' VAL . 52.9 t -130.45 98.49 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.24 -94.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -119.9 -32.93 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 10' ' ' ARG . 26.7 mt-10 -78.42 172.52 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 19.8 ttp-105 -154.1 151.35 29.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.603 HG23 HD12 ' A' ' 15' ' ' LEU . 11.3 t -137.48 147.85 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.7 p -125.74 155.11 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.936 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -154.94 109.59 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.2 m -73.16 111.44 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -87.96 135.52 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.46 128.51 54.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.692 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.4 t -122.13 125.76 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -97.35 109.36 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.53 ' HB2' HG11 ' A' ' 71' ' ' VAL . . . -52.64 163.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.712 . . . . 0.0 110.948 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -113.5 115.85 28.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 m -132.13 -47.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.53 72.93 0.62 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -167.8 121.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -46.62 154.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.64 155.58 9.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 157.59 59.92 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.41 134.62 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.055 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -121.16 142.72 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 64.1 m-85 -56.94 145.41 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.0 p -117.85 -34.75 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' ASP . 12.0 mm100 -119.73 106.81 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.8 p-10 -36.2 124.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' HG ' ' HB2' ' A' ' 88' ' ' ALA . 8.8 tp -55.27 136.39 48.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 17' ' ' THR . 15.0 tptt -125.9 159.18 33.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.635 HG21 ' O ' ' A' ' 89' ' ' THR . 2.4 t -131.01 176.12 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -123.54 166.42 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 8.8 pt-20 -108.85 110.68 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.19 168.13 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 59.9 p -92.75 157.64 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.25 143.67 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.87 -28.25 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -68.58 -175.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.8 m -122.99 121.13 35.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -79.55 164.26 24.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.8 m -148.63 108.67 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.826 HD13 HD23 ' A' ' 64' ' ' LEU . 4.5 mp -102.76 140.4 37.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -123.71 142.23 51.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 p -152.15 144.45 24.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 9.5 tt0 -103.59 168.72 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD22 ' SG ' ' A' ' 81' ' ' CYS . 81.1 mt -144.47 161.78 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.9 t -67.56 -31.07 70.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.45 165.97 18.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -59.68 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.15 145.62 21.21 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.549 0.69 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.4 m -107.9 -176.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -153.05 110.45 3.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.728 ' CE3' HD22 ' A' ' 64' ' ' LEU . 61.4 m95 -70.58 149.17 47.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.752 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 20.0 mttp -143.76 146.53 33.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.778 ' HB2' HD11 ' A' ' 47' ' ' LEU . 29.3 tttm -116.45 34.83 4.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.02 -146.12 17.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 3.29 2.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.86 162.58 18.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.717 HG23 ' HE3' ' A' ' 41' ' ' LYS . 1.3 m -104.18 151.2 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.778 HD11 ' HB2' ' A' ' 42' ' ' LYS . 73.1 mt -117.05 175.86 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 48' ' ' ARG . 12.4 mtm105 -158.48 157.57 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.75 134.84 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.93 135.98 4.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.11 -100.64 2.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 34.2 mtm180 -121.3 39.45 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 92.9 m-85 -157.54 131.49 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -122.95 117.72 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.718 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -122.56 106.78 11.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -103.85 141.99 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -115.74 105.31 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.67 79.76 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.64 -100.57 0.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.7 p -104.66 16.07 26.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -131.04 150.78 51.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.6 m -131.7 126.51 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -111.82 108.7 18.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.826 HD23 HD13 ' A' ' 28' ' ' LEU . 12.6 tp -92.27 145.88 24.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.529 ' H ' HD12 ' A' ' 64' ' ' LEU . 37.5 mt-30 -137.14 142.53 42.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 mt -127.66 92.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.71 146.53 54.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 61.72 52.66 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.5 mt -49.42 171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.511 ' O ' HG11 ' A' ' 92' ' ' VAL . 2.4 m -167.23 159.18 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -66.94 -24.13 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.02 -15.33 56.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.21 -28.15 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -58.55 103.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.12 -121.77 1.08 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -139.54 110.62 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.542 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.2 m-85 -97.8 116.93 31.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 m -106.94 147.35 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.1 t -125.27 120.2 30.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.752 ' HE1' ' HB2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.18 124.01 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.547 ' SG ' HD22 ' A' ' 32' ' ' LEU . 39.6 t -132.11 103.12 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.55 -94.23 0.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.62 -33.45 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -76.96 167.2 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.0 ttp180 -156.78 149.52 23.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.4 t -145.91 163.22 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 154.95 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -146.16 124.35 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.635 ' O ' HG21 ' A' ' 17' ' ' THR . 78.9 m -73.87 116.2 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 tp -79.1 141.51 37.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.442 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 24.3 m -104.77 120.25 40.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 90.4 t -121.72 115.7 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -85.13 125.53 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.55 140.18 46.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mt -54.12 152.41 11.03 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 124.99 11.63 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -40.81 -60.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -123.74 164.38 19.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' THR . 20.4 m-85 -97.86 107.57 20.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 99' ' ' PHE . 13.9 t -37.06 137.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.0 -42.33 33.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.88 -156.42 19.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.9 m -147.62 161.95 40.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -106.25 146.05 16.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 126.05 12.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 m -60.58 168.44 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.6 p -116.7 163.24 16.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.489 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m 48.06 42.23 16.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.399 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -161.83 141.2 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.06 -118.81 3.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -129.4 93.85 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -79.62 175.81 10.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.46 -94.73 0.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 144.93 55.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.45 154.49 37.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.508 HH11 HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -132.75 171.5 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 81' ' ' CYS . 88.1 m-85 -90.44 140.26 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.508 HG22 HH11 ' A' ' 10' ' ' ARG . 23.3 p -111.2 -14.28 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -144.77 113.6 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -41.06 129.23 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.75 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.5 tt -35.45 143.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.711 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.5 tmmm? -114.35 142.97 45.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 89' ' ' THR . 10.0 t -136.23 167.25 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -131.97 159.24 39.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -99.2 112.05 24.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.54 165.02 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -94.45 170.96 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.21 137.6 56.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.29 -20.75 24.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -175.9 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -121.96 113.92 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.834 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -74.7 131.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.5 m -119.86 117.12 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 64' ' ' LEU . 4.5 mp -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -138.53 143.28 39.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.8 p -142.79 143.27 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.38 160.09 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD22 ' SG ' ' A' ' 81' ' ' CYS . 43.8 mt -141.59 158.65 43.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -66.93 -28.53 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -165.77 166.68 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.89 114.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.94 148.23 19.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.74 33.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.692 HG12 ' HB2' ' A' ' 81' ' ' CYS . 23.1 m -124.89 -176.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -154.66 112.89 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.773 ' CE3' HD22 ' A' ' 64' ' ' LEU . 69.2 m95 -75.35 138.11 41.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -133.11 144.79 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' HB2' HD11 ' A' ' 47' ' ' LEU . 23.8 tttt -113.38 20.06 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.32 -144.3 13.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.75 4.06 2.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -117.72 177.23 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 m -121.53 152.42 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.1 mt -119.13 -177.0 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -151.72 -176.92 5.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -109.99 106.15 15.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.42 90.02 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 121.24 -142.39 15.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -43.32 -34.19 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -99.39 118.05 35.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -125.11 117.75 24.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.672 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.3 147.52 51.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -134.78 143.93 47.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -104.57 115.42 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -113.86 93.16 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.14 -105.97 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -109.41 22.64 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -139.04 129.25 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -107.2 157.73 17.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -142.71 114.89 8.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.773 HD22 ' CE3' ' A' ' 40' ' ' TRP . 44.1 tp -100.73 137.57 38.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -127.41 116.44 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 26' ' ' ALA . 7.2 mt -104.19 93.33 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -71.69 152.1 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 63.47 53.31 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' A' ' 26' ' ' ALA . 11.4 mt -58.68 156.92 10.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.493 ' C ' HG11 ' A' ' 92' ' ' VAL . 2.0 m -157.14 138.1 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.485 ' N ' HG11 ' A' ' 92' ' ' VAL . 12.9 m -40.7 -33.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.64 95.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' SER . 4.6 m-20 -63.49 -13.87 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -67.86 104.03 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 89' ' ' THR . . . -160.93 -114.93 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.93 137.52 34.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.47 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 43.7 m-85 -123.91 121.92 36.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.7 m -111.29 145.7 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -123.88 118.32 26.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -94.45 125.83 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.692 ' HB2' HG12 ' A' ' 38' ' ' VAL . 19.7 t -130.56 95.41 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.25 -83.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -129.58 -39.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.97 178.19 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -164.05 147.16 9.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.444 HG23 HD12 ' A' ' 15' ' ' LEU . 11.2 t -137.22 146.26 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -118.57 151.43 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.75 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -150.93 109.83 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 75' ' ' GLY . 39.9 m -73.14 120.38 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 91' ' ' THR . 13.0 tp -87.31 153.66 21.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.468 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 19.5 m -118.42 126.23 51.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 45.7 t -117.88 131.66 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -102.39 131.07 49.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.34 141.08 45.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.8 mt -51.21 155.73 2.19 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.94 2.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.78 168.88 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -116.96 143.2 45.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -104.17 -66.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.9 p -139.87 159.19 42.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -106.3 -175.77 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.46 114.52 3.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' GLY . 29.8 t -116.66 102.58 9.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.959 0.409 . . . . 0.0 110.881 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' SER . . . -35.6 146.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 150.34 67.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -100.85 -47.42 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 t 64.14 42.31 5.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -130.33 -46.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -153.25 138.85 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.49 95.91 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -65.43 170.96 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -135.29 154.7 51.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.82 -170.36 13.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 163.55 37.84 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.73 2.287 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.77 145.31 47.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.039 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -123.17 138.83 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -59.7 135.67 57.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.5 p -111.99 -26.68 8.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -124.63 109.28 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.66 136.23 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.1 tt -47.59 134.93 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.634 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -106.63 152.49 23.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 89' ' ' THR . 11.8 t -146.38 169.47 18.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.39 164.3 28.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 mt-10 -104.34 120.59 41.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.85 168.33 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.4 p -92.75 167.02 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' O ' HD21 ' A' ' 95' ' ' LEU . 16.9 mt-10 -58.32 130.99 49.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.25 -17.62 58.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -176.17 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.0 m -123.84 118.53 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -75.05 175.07 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.8 m -151.15 105.34 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.0 mp -106.28 127.95 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -116.27 143.17 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.1 p -150.9 139.58 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -101.08 162.08 13.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 ' SG ' ' A' ' 81' ' ' CYS . 18.0 mt -136.23 164.17 28.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.0 p -67.83 -22.38 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' C ' HG22 ' A' ' 60' ' ' THR . 50.2 pttt -172.8 167.75 5.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.9 t -59.72 106.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.81 146.1 25.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.071 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 133.55 25.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.334 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.66 HG12 ' HB2' ' A' ' 81' ' ' CYS . 30.5 m -123.69 176.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -146.78 117.55 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.919 ' CE3' HD22 ' A' ' 64' ' ' LEU . 60.8 m95 -79.16 137.86 37.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -132.58 142.23 49.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 43.2 tttm -111.42 20.63 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.11 -144.05 12.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.75 4.42 2.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -117.27 166.35 12.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m -114.73 137.22 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 42' ' ' LYS . 5.5 mt -103.62 -179.4 3.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -149.38 -179.07 6.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.47 116.34 31.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.16 91.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.72 -140.23 15.08 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -42.52 -36.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -105.27 112.09 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.428 ' C ' HD23 ' A' ' 55' ' ' LEU . 1.7 m -117.12 128.2 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.817 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.73 148.87 45.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -123.67 155.71 37.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -126.73 107.68 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.32 85.47 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.92 -102.94 0.83 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.466 HG22 ' C ' ' A' ' 34' ' ' LYS . 30.4 p -104.46 7.2 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -117.84 156.86 27.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.5 m -144.14 139.84 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.54 115.95 23.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.919 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.3 tp -100.02 117.22 33.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.92 126.83 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.6 mt -103.6 103.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -77.96 140.64 39.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 68.22 47.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.6 mt -49.84 167.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.443 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -165.36 152.6 10.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.491 HG13 ' CD ' ' A' ' 22' ' ' GLU . 5.7 m -52.3 -30.71 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.45 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.75 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.38 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.23 -120.28 0.6 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.8 118.93 12.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.551 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 52.5 m-85 -104.82 118.69 37.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -104.95 143.28 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.0 t -122.03 116.4 24.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.5 mtt -94.5 122.42 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.66 ' HB2' HG12 ' A' ' 38' ' ' VAL . 37.5 t -128.56 94.24 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.33 -79.91 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -132.44 -42.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.53 171.01 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.6 ttm105 -154.77 154.18 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.9 t -148.85 138.21 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 m -117.87 151.14 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -138.89 119.05 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.491 ' O ' HG21 ' A' ' 17' ' ' THR . 52.3 m -76.35 112.53 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 18' ' ' LYS . 8.6 tp -92.27 146.51 23.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 m -117.48 125.53 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.443 HG11 ' C ' ' A' ' 70' ' ' SER . 95.3 t -116.49 115.06 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -81.33 117.04 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.55 135.78 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.515 HD21 ' O ' ' A' ' 22' ' ' GLU . 5.9 mt -46.62 153.58 0.76 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 112.16 3.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.53 170.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -105.92 36.27 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.24 141.78 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.1 p -76.93 138.14 39.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -97.66 -54.28 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.75 -164.48 25.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.1 m -143.04 156.16 44.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.69 84.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 179.61 3.57 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.8 m -113.65 170.31 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.3 t -137.22 156.36 48.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -146.73 142.15 27.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -122.67 34.34 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.18 77.8 0.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 m -87.09 -48.5 8.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -94.59 -54.42 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.57 -90.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 153.96 68.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 135.14 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -119.52 147.8 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -64.86 143.33 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -115.14 -28.6 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.403 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 32.5 mt-30 -127.04 106.45 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -38.85 125.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 16' ' ' LYS . 7.7 tt -60.07 144.66 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.8 mmmm -137.39 169.74 17.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.477 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 8.0 t -137.38 179.77 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -125.25 168.37 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 17.2 pm0 -106.9 133.82 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 24' ' ' ALA . . . -144.68 168.16 20.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -97.01 152.85 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' OE2' HG22 ' A' ' 71' ' ' VAL . 26.0 mt-10 -39.63 132.4 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.73 -36.28 3.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . . . -60.74 -174.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.078 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.1 m -130.9 122.79 27.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.19 172.03 14.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.2 m -153.22 105.04 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.98 HD13 HD23 ' A' ' 64' ' ' LEU . 4.3 mp -98.57 145.34 26.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -129.98 145.19 51.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.2 p -151.19 143.18 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 11.9 tt0 -106.38 155.04 19.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD22 ' SG ' ' A' ' 81' ' ' CYS . 82.2 mt -130.35 154.93 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.7 t -62.35 -32.36 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -162.48 156.67 21.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.516 ' N ' HG22 ' A' ' 60' ' ' THR . 62.3 t -51.96 111.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.73 152.14 31.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 131.56 21.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.617 HG12 ' HB2' ' A' ' 81' ' ' CYS . 20.1 m -125.28 172.68 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -145.02 116.39 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.58 ' CD1' HD23 ' A' ' 55' ' ' LEU . 56.5 m95 -78.22 146.4 34.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -135.89 147.7 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.723 ' HB2' HD11 ' A' ' 47' ' ' LEU . 55.0 tttt -112.57 17.99 18.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.29 -142.99 11.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -120.35 176.89 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 m -111.23 140.1 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 42' ' ' LYS . 17.9 mt -98.02 177.08 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -153.96 163.49 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.581 ' HB3' HD13 ' A' ' 55' ' ' LEU . 6.7 p-10 -90.54 114.27 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.89 164.92 11.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.62 -96.64 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -124.09 39.42 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -151.07 130.89 13.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.95 120.69 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.627 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -130.15 103.18 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -101.2 158.53 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -125.0 102.82 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -93.28 87.34 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.57 -98.46 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 35' ' ' VAL . 22.6 p -110.67 13.53 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.337 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -123.61 164.61 18.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.2 m -142.86 125.01 15.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -110.77 116.44 31.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.98 HD23 HD13 ' A' ' 28' ' ' LEU . 12.2 tp -100.88 139.53 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -129.22 139.44 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.83 100.13 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -79.8 140.07 36.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 73.11 49.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.6 mt -52.44 153.36 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 73' ' ' ASP . 2.4 m -154.52 139.51 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.41 HG22 ' OE2' ' A' ' 22' ' ' GLU . 3.5 m -39.4 -33.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.96 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.6 OUTLIER -54.66 -41.17 69.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.916 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -46.18 100.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.16 -128.46 1.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.505 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -135.01 110.86 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.443 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 58.7 m-85 -97.43 120.23 37.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -114.05 141.5 47.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 21.0 t -122.15 120.63 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.0 mtt -95.82 129.6 43.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.647 ' SG ' HD22 ' A' ' 32' ' ' LEU . 37.4 t -133.14 95.05 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.15 -87.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -125.55 -40.06 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.22 170.98 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -156.33 141.15 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -134.44 163.82 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.7 p -146.77 156.31 43.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.38 126.17 11.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.423 ' O ' HG21 ' A' ' 17' ' ' THR . 83.6 m -84.6 114.1 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.0 tp -82.47 144.49 30.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.5 m -104.53 127.32 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.916 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 38.4 t -123.98 127.84 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -104.26 122.39 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 151.38 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.87 157.17 8.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 128.96 16.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.67 110.19 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -65.1 -40.3 94.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' O ' ' N ' ' A' ' 101' ' ' GLU . 24.7 t80 -51.52 95.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 100' ' ' THR . 4.4 t -64.54 73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -40.05 113.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.94 -103.82 0.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.5 m -116.31 126.39 53.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.69 -93.83 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.05 39.21 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.668 2.245 . . . . 0.0 112.277 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 107' ' ' SER . 46.1 t -74.5 119.31 18.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 106' ' ' SER . 18.5 m 34.56 48.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -121.91 154.7 36.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -127.84 160.47 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.15 -172.91 27.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -119.48 125.64 49.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -173.13 154.35 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.29 -167.12 32.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 162.7 41.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -77.72 132.4 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -115.24 137.33 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -53.62 138.87 33.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 p -113.8 -26.73 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -128.39 113.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -38.64 147.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 16' ' ' LYS . 1.9 tt -71.8 133.3 45.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -118.74 170.59 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.667 HG21 ' HA ' ' A' ' 90' ' ' LEU . 8.7 t -154.16 -179.29 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -126.58 171.84 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 7.8 pt-20 -111.03 115.51 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.02 166.78 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.1 t -92.12 161.13 14.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' HD21 ' A' ' 95' ' ' LEU . 16.0 mt-10 -49.04 131.91 19.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.24 -26.97 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -175.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 m -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.614 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -85.21 173.43 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -153.06 110.61 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.794 HD13 HD23 ' A' ' 64' ' ' LEU . 4.1 mp -110.29 119.22 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -117.72 138.75 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -139.55 -179.67 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -128.91 165.12 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD22 ' SG ' ' A' ' 81' ' ' CYS . 30.2 mt -144.41 154.82 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -61.81 -29.88 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -163.18 153.57 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.607 HG22 ' H ' ' A' ' 60' ' ' THR . 60.1 t -54.05 114.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.51 152.95 28.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.68 17.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' SG ' ' A' ' 81' ' ' CYS . 3.8 m -128.66 170.14 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.88 132.87 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.853 ' CE3' HD22 ' A' ' 64' ' ' LEU . 30.3 m95 -88.8 145.16 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -137.49 147.35 45.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -113.38 17.38 18.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 146.76 -143.52 11.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.47 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.0 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.39 172.91 7.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -115.67 138.86 50.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.7 mt -99.28 177.04 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -150.66 168.85 23.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.84 113.15 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.33 -67.45 0.25 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.01 -126.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 49.6 mtp180 -80.96 42.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 95.8 m-85 -161.1 116.04 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -118.81 117.91 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.628 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.1 144.81 51.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -131.84 144.24 50.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 18.1 tp60 -93.95 154.67 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 11.3 m-20 -155.7 165.0 37.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.13 106.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.607 ' H ' HG22 ' A' ' 35' ' ' VAL . 74.6 p 47.11 30.05 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -146.09 142.42 28.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.5 m -134.68 130.92 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.41 127.42 53.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.853 HD22 ' CE3' ' A' ' 40' ' ' TRP . 9.1 tp -117.29 123.63 47.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -114.04 135.59 53.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 mt -115.01 97.69 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -73.72 155.37 39.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 52.34 47.85 23.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.614 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.3 mt -47.38 171.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -168.27 143.85 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.42 HG13 ' CG ' ' A' ' 22' ' ' GLU . 6.9 m -49.54 -34.01 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -28.3 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.14 -31.24 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -55.78 106.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.67 -122.67 0.79 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.523 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -135.63 110.17 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -97.42 119.05 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.43 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 6.8 m -110.57 150.1 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.95 121.85 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.427 ' CE ' ' HE ' ' A' ' 85' ' ' ARG . 47.0 mtt -97.31 121.75 39.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.482 ' SG ' HG12 ' A' ' 38' ' ' VAL . 44.7 t -132.83 107.1 8.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.63 -91.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -127.31 -30.0 2.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.24 177.78 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' NH2' ' HB2' ' A' ' 78' ' ' SER . 56.5 ttt-85 -166.69 137.88 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.7 t -132.21 163.33 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.9 p -142.44 146.47 34.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -140.84 125.92 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -82.43 114.47 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.667 ' HA ' HG21 ' A' ' 17' ' ' THR . 6.2 tp -83.11 151.81 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.506 HG22 ' NE ' ' A' ' 93' ' ' ARG . 57.6 m -113.57 126.62 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.531 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 92.3 t -127.38 115.36 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.506 ' NE ' HG22 ' A' ' 91' ' ' THR . 0.0 OUTLIER -88.59 127.61 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.68 151.13 39.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 22' ' ' GLU . 5.1 mt -62.26 152.23 79.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.75 2.63 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.736 2.29 . . . . 0.0 112.338 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.04 162.96 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 166.38 13.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -157.96 124.81 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.1 m -64.16 94.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.64 166.65 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.97 -101.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.1 p -120.89 163.68 17.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.59 172.29 22.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.88 69.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -160.4 174.94 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -75.89 160.19 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.798 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -91.55 167.78 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -123.5 46.62 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.05 150.57 22.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -114.86 160.75 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.353 . . . . 0.0 110.856 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -129.84 45.71 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . . . -173.47 -97.81 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 169.33 19.24 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.545 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -110.31 -179.09 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -144.34 -179.25 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -98.45 134.03 42.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -111.36 -12.55 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 14' ' ' ASP . 7.8 mm100 -143.02 108.81 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.3 m-20 -35.72 124.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 6.3 tp -48.3 128.24 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -104.89 146.63 28.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.614 HG21 ' O ' ' A' ' 89' ' ' THR . 4.4 t -128.08 173.93 9.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.71 154.14 48.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 11.7 pt-20 -99.23 127.35 45.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.649 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -135.05 167.57 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 m -94.91 170.78 9.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.14 136.15 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.69 -23.9 9.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -177.55 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.5 m -120.16 133.61 55.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -85.95 179.46 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.4 m -159.66 109.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.652 HD13 HD23 ' A' ' 64' ' ' LEU . 3.2 mp -111.99 133.69 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -123.18 140.51 52.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 9.8 p -144.98 137.23 25.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -91.62 172.65 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD22 ' SG ' ' A' ' 81' ' ' CYS . 61.5 mt -153.15 150.47 29.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -63.8 -28.77 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.545 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 6.8 pttt -160.54 151.5 18.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.62 HG22 ' H ' ' A' ' 60' ' ' THR . 48.0 t -55.35 112.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.089 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.95 152.13 31.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 111.1 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.38 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG12 ' SG ' ' A' ' 81' ' ' CYS . 5.6 m -108.28 158.85 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -125.36 131.95 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.835 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 m95 -91.4 144.36 25.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.719 ' HE3' HG23 ' A' ' 46' ' ' THR . 23.1 mttp -136.35 146.37 46.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.678 ' HB2' HD11 ' A' ' 47' ' ' LEU . 26.0 tttt -111.69 19.47 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 144.18 -142.86 11.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.5 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -121.39 170.3 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.719 HG23 ' HE3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -112.27 139.52 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' A' ' 42' ' ' LYS . 93.6 mt -100.86 -177.03 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -156.83 155.23 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.528 ' HB3' HD13 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -82.2 123.95 29.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.4 -63.7 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.24 -136.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -81.05 43.2 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -150.81 110.96 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -104.36 109.11 20.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.835 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -111.5 118.07 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -114.3 139.61 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 13.2 tp60 -99.68 150.12 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 3.0 m-20 -148.56 165.15 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.34 108.61 0.23 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.62 ' H ' HG22 ' A' ' 35' ' ' VAL . 68.2 p 44.79 31.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 111.195 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -151.35 154.03 35.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.3 m -138.65 151.68 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -141.39 107.69 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.797 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.9 tp -98.11 145.25 26.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' H ' HD12 ' A' ' 64' ' ' LEU . 23.7 mt-30 -131.28 141.34 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 mt -121.21 89.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -65.52 152.33 44.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 52.83 54.99 9.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.649 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.6 mt -53.06 171.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.617 ' O ' HG11 ' A' ' 92' ' ' VAL . 32.9 t -167.81 164.4 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.93 -19.21 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.93 -24.54 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -78.92 -25.05 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.835 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -63.03 102.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.58 -121.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -138.12 108.75 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.537 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 51.7 m-85 -98.79 120.78 39.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 m -113.19 145.87 40.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 19.5 t -119.68 121.44 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.554 ' HE1' ' HB2' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -95.83 122.07 38.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.637 ' SG ' HD22 ' A' ' 32' ' ' LEU . 43.9 t -133.12 95.82 3.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.36 -103.81 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -118.14 -19.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.61 176.71 7.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.4 ttp180 -164.99 147.28 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 6.9 t -142.84 154.44 44.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.0 p -135.82 142.17 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 15' ' ' LEU . . . -134.39 96.38 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.614 ' O ' HG21 ' A' ' 17' ' ' THR . 24.1 m -50.59 120.4 4.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 91' ' ' THR . 4.2 tp -87.97 148.95 24.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.466 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 94.1 m -111.22 130.51 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.835 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 59.1 t -127.63 125.28 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -97.08 127.22 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -77.27 123.58 26.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.4 mt -37.21 154.48 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.666 0.746 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 151.39 68.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.97 -55.28 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -95.16 161.73 14.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -129.33 86.84 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.7 p -39.17 143.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.096 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -165.67 105.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.2 -134.46 4.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -97.04 175.03 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.5 -178.17 50.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.63 69.02 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.7 2.266 . . . . 0.0 112.382 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.3 t -117.04 -51.52 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -39.8 -53.12 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -105.83 -43.73 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -117.01 165.01 13.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.05 170.96 13.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.536 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -75.38 86.14 2.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 p -159.5 117.58 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.0 -161.27 33.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -173.33 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.256 . . . . 0.0 112.374 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.18 150.69 28.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -122.59 137.62 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 69.6 m-85 -61.32 135.22 57.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.0 p -111.43 -16.37 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.5 105.71 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.31 127.63 2.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.566 ' HB2' HG21 ' A' ' 86' ' ' THR . 8.0 tt -62.16 137.03 58.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -124.22 -179.6 4.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 89' ' ' THR . 5.6 t -147.0 -176.17 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -131.51 166.69 20.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.0 pt-20 -108.97 109.95 21.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -117.05 168.06 10.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.1 p -90.32 161.19 15.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -51.85 137.44 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 -4.54 83.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.39 -175.09 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 66' ' ' ILE . 16.3 m -129.74 106.11 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -62.69 -175.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 m -165.65 109.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD13 HD23 ' A' ' 64' ' ' LEU . 4.8 mp -103.54 152.62 21.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -135.4 138.8 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.0 p -145.21 139.06 26.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -100.36 163.67 12.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 ' SG ' ' A' ' 81' ' ' CYS . 24.6 mt -139.51 160.08 40.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -67.3 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' C ' HG22 ' A' ' 60' ' ' THR . 10.9 pttm -165.05 163.9 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.92 114.27 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.34 19.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.01 10.66 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.6 -178.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -155.73 117.92 4.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.967 ' CD1' HD22 ' A' ' 55' ' ' LEU . 42.3 m95 -78.19 150.25 33.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -143.4 153.92 43.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.522 ' CB ' HD11 ' A' ' 47' ' ' LEU . 63.5 tttt -123.16 13.42 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 150.11 -141.35 8.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.2 Cg_endo -69.81 3.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -116.86 166.7 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m -110.3 140.02 44.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.851 HD22 ' CE2' ' A' ' 53' ' ' TYR . 6.8 mt -114.07 158.93 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 28.0 mmm180 -151.8 138.9 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.569 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -49.23 114.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.01 -66.86 0.2 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.58 -128.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -83.93 36.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.851 ' CE2' HD22 ' A' ' 47' ' ' LEU . 57.5 m-85 -146.3 121.6 10.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -107.86 96.12 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.967 HD22 ' CD1' ' A' ' 40' ' ' TRP . 0.8 OUTLIER -94.71 123.72 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -120.44 121.67 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.14 132.9 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.53 69.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 -107.76 2.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.429 HG22 ' C ' ' A' ' 34' ' ' LYS . 14.4 p -99.68 27.69 5.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.775 0.321 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -145.63 155.67 43.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.7 m -139.68 139.57 36.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -122.1 110.85 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.777 HD12 ' N ' ' A' ' 65' ' ' GLN . 3.9 tp -92.16 137.24 32.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.777 ' N ' HD12 ' A' ' 64' ' ' LEU . 22.2 mt-30 -127.49 137.24 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.444 HG23 ' CE1' ' A' ' 53' ' ' TYR . 6.2 mt -124.0 94.74 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -71.59 154.1 41.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.55 54.37 5.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.7 mt -57.67 164.25 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -161.67 160.1 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 71' ' ' VAL . 1.6 m -61.55 -31.61 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.067 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.51 -26.67 55.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.56 -19.38 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.657 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -66.75 101.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.66 -132.7 2.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -133.14 112.4 11.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.476 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 35.6 m-85 -99.31 122.73 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -107.99 144.45 35.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.3 t -119.75 114.91 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.5 mtt -96.28 128.23 43.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 12.0 t -132.75 97.35 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.35 -84.98 0.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -122.78 -44.05 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.48 166.38 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 86' ' ' THR . 51.8 ttp180 -158.66 153.77 25.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.566 HG21 ' HB2' ' A' ' 15' ' ' LEU . 1.2 t -137.33 159.89 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -136.71 152.03 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.44 118.69 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.54 ' O ' HG21 ' A' ' 17' ' ' THR . 98.5 m -76.28 112.51 12.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.07 138.36 39.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -106.23 132.95 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.657 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 21.2 t -128.1 114.14 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -84.41 109.55 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.96 138.35 57.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt -49.67 150.32 3.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 125.8 12.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.374 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.51 -32.87 20.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -130.63 -178.01 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -116.07 141.29 48.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.9 t -124.83 155.38 39.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.48 103.6 9.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.67 59.35 4.59 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -48.72 137.62 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.19 147.41 4.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 121.06 7.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.1 m -48.03 -58.97 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.3 p -164.88 115.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.484 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -101.98 118.83 37.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m -100.76 106.11 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.03 77.55 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -117.0 95.88 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -77.4 172.64 13.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.08 -96.52 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 147.0 62.13 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.73 139.46 56.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -112.77 147.66 36.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -70.35 142.26 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -114.97 -29.13 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ASP . 3.7 mm100 -125.42 109.54 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' GLN . 9.7 p-10 -37.39 146.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.677 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.3 tt -59.77 143.04 52.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.677 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.0 tmtt? -117.44 146.84 43.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 89' ' ' THR . 4.9 t -140.56 176.48 8.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.611 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -141.27 170.0 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -110.79 131.08 55.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.799 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -136.81 168.15 20.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.0 p -90.26 168.54 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' OE2' HG22 ' A' ' 71' ' ' VAL . 31.0 mt-10 -59.35 119.52 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.69 -22.47 33.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.495 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . . . -70.42 -176.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.0 m -120.24 127.9 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' HB3' HD12 ' A' ' 66' ' ' ILE . . . -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.1 m -157.58 108.15 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.54 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.2 mp -110.13 120.63 43.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -112.49 137.24 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.2 p -140.07 174.43 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -133.46 166.23 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD22 ' SG ' ' A' ' 81' ' ' CYS . 24.4 mt -145.65 154.37 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 t -60.23 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -168.48 155.29 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.469 HG22 ' C ' ' A' ' 59' ' ' GLY . 36.3 t -50.51 109.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.37 150.42 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.45 40.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.496 HG12 ' CB ' ' A' ' 81' ' ' CYS . 33.5 m -137.39 171.75 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -145.23 116.89 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.622 ' CD1' HD23 ' A' ' 55' ' ' LEU . 42.4 m95 -74.19 147.16 42.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -143.77 152.05 40.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 37.9 tttm -121.14 21.41 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.12 -144.16 13.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.88 167.36 11.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.7 m -114.62 147.91 38.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.407 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.4 mt -114.19 -178.0 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -166.54 157.7 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -62.1 159.53 14.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.78 156.93 24.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.59 -127.7 37.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.54 36.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -155.56 115.01 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -122.41 117.9 27.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -117.78 124.57 48.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -117.04 125.63 51.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -96.34 107.74 20.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -104.57 80.93 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' C ' HG22 ' A' ' 35' ' ' VAL . . . 64.65 -97.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 35' ' ' VAL . 76.8 p -111.51 27.02 10.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 111.119 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 14.7 mtm105 -140.99 151.64 44.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.8 m -132.21 137.51 47.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.92 108.26 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD13 ' HG ' ' A' ' 55' ' ' LEU . 21.2 tp -98.59 131.9 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -120.98 120.69 36.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 26' ' ' ALA . 14.7 mt -97.57 89.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -70.32 137.64 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.28 47.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.799 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.4 mt -47.94 164.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -162.57 145.62 11.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.433 HG22 ' OE2' ' A' ' 22' ' ' GLU . 4.8 m -50.23 -22.3 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.34 35.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -30.35 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -54.8 102.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.3 -121.54 0.75 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.56 112.85 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 90.7 m-85 -97.22 117.99 32.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -104.62 145.57 30.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 41.0 mtt -95.71 125.94 40.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.599 ' SG ' HD22 ' A' ' 32' ' ' LEU . 53.8 t -131.87 97.19 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.85 -87.69 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -121.06 -37.7 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.41 174.6 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -165.06 147.2 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.592 HG23 HD12 ' A' ' 15' ' ' LEU . 7.0 t -135.45 163.47 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -145.04 140.68 28.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.566 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -140.75 110.25 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' HG21 ' A' ' 17' ' ' THR . 96.5 m -68.62 124.75 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.6 tp -94.09 149.63 21.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 30.9 m -116.92 121.93 42.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 86.9 t -117.12 127.46 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -93.47 138.81 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.61 141.49 32.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.42 154.61 2.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.33 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.02 164.96 21.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -94.66 143.69 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -128.66 131.58 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.9 t -118.46 149.43 41.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -143.53 127.42 17.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.28 148.44 8.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -112.46 -54.88 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.94 0.4 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.93 67.33 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 156.62 62.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.2 m -121.97 132.84 54.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.1 p -133.07 164.09 27.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -54.27 112.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -120.69 121.16 37.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.37 151.56 7.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -163.6 126.63 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -52.85 103.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.67 -157.72 10.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HG3' ' CG ' ' A' ' 83' ' ' GLN . 54.2 Cg_endo -69.78 168.5 21.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.388 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.86 131.05 42.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -109.9 160.43 16.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -77.72 141.52 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.3 p -113.98 -23.43 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASP . 23.8 mm-40 -134.72 108.18 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' GLN . 5.9 t0 -36.43 154.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.867 HD22 ' CB ' ' A' ' 88' ' ' ALA . 1.8 tt -59.47 153.52 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.796 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -121.88 153.99 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -168.9 175.8 5.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -149.23 179.96 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.466 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 3.9 pt-20 -113.75 110.33 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.839 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -109.31 168.5 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.086 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -86.4 169.27 13.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.58 126.75 28.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.08 -19.19 55.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.58 -174.81 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.4 m -127.0 119.12 25.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.562 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -80.82 -175.99 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.421 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 22.4 m -168.23 105.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.684 HD13 HD23 ' A' ' 64' ' ' LEU . 3.6 mp -98.4 120.32 38.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.48 130.0 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.29 156.18 49.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -118.78 161.73 19.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.536 HD22 ' SG ' ' A' ' 81' ' ' CYS . 25.5 mt -138.82 163.9 31.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -76.78 -25.7 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -147.59 -178.88 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 59' ' ' GLY . 21.4 t -93.59 98.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.34 60.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 111.086 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 114.29 3.65 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG11 HD11 ' A' ' 32' ' ' LEU . 5.1 m -106.65 176.49 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -146.78 132.11 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.803 ' CD1' HD23 ' A' ' 55' ' ' LEU . 30.6 m95 -87.85 144.89 26.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -133.75 145.06 49.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.84 ' HB2' HD11 ' A' ' 47' ' ' LEU . 40.0 tttp -111.21 20.69 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 142.87 -143.4 12.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.8 Cg_endo -69.73 3.77 2.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -118.96 174.65 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m -113.17 137.8 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 42' ' ' LYS . 74.6 mt -99.52 173.86 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -150.59 164.75 35.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.747 ' HB3' HD13 ' A' ' 55' ' ' LEU . 1.8 p30 -95.47 146.78 24.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.28 -68.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.49 -128.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 84.0 mtm180 -81.8 44.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 85.1 m-85 -158.44 108.69 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -101.33 108.26 19.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.803 HD23 ' CD1' ' A' ' 40' ' ' TRP . 2.2 mp -110.59 133.32 53.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -133.06 131.09 40.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -102.51 108.56 19.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -97.73 72.54 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 71.33 -91.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -113.18 31.72 6.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -151.03 153.82 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.5 m -131.42 145.07 51.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -129.51 108.83 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.684 HD23 HD13 ' A' ' 28' ' ' LEU . 28.3 tp -100.66 121.57 41.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -109.93 130.46 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 26' ' ' ALA . 6.8 mt -109.91 90.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -69.41 146.23 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.53 53.28 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.839 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.0 mt -52.22 158.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.549 ' C ' HG11 ' A' ' 92' ' ' VAL . 9.5 p -159.18 160.67 35.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -26.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.91 56.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.65 -29.24 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.562 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -60.08 101.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.49 -122.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -139.74 112.75 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -100.02 128.16 46.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.57 148.03 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 t -126.09 113.83 17.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.6 mtt -95.69 124.89 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.536 ' SG ' HD22 ' A' ' 32' ' ' LEU . 14.9 t -130.7 96.8 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.42 -87.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.46 ' CG ' ' HG3' ' A' ' 8' ' ' PRO . 14.0 mm100 -125.63 -29.26 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.927 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -86.18 165.6 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -159.16 143.43 15.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.408 HG23 HD12 ' A' ' 15' ' ' LEU . 6.8 t -128.63 151.36 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.4 p -123.9 148.04 47.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.867 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -141.43 105.06 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.6 m -69.87 114.39 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 18' ' ' LYS . 5.7 tp -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -111.94 142.34 44.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.562 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 98.2 t -129.22 119.53 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -85.29 119.71 25.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -76.37 129.09 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.2 mt -37.16 153.06 0.11 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.75 28.75 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.4 157.33 20.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.76 158.82 29.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -171.82 163.66 6.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 100' ' ' THR . 13.4 t -77.5 48.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.01 -54.3 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -114.63 110.64 2.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.8 p -62.75 -35.63 80.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.93 83.45 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 127.02 13.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.8 p -147.31 179.15 7.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.4 m -106.77 132.28 52.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -108.86 141.96 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -96.58 41.34 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.83 -157.82 25.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -112.75 -43.91 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.833 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -87.01 108.23 18.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.79 146.14 5.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 177.04 5.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.718 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -74.11 169.85 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.072 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -136.22 138.45 41.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -58.05 141.34 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -117.98 -21.59 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -134.68 123.25 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.44 144.53 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.7 tt -64.74 136.24 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -111.32 171.03 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.441 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 11.5 t -160.16 174.33 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -129.95 169.73 14.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 45.7 tt0 -111.53 109.98 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB2' ' HE3' ' A' ' 18' ' ' LYS . . . -119.07 166.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 31.0 t -94.53 164.5 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -47.44 139.47 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.34 -17.71 12.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -74.31 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.7 m -121.93 120.48 34.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -80.33 178.09 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -157.36 108.17 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.91 HD13 HD23 ' A' ' 64' ' ' LEU . 1.2 mp -111.3 134.84 52.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -122.47 145.49 48.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.6 p -144.13 134.24 24.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.87 157.47 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.0 mt -138.84 147.01 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -55.7 -28.06 53.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.718 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 11.0 pttt -162.3 159.32 25.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.59 HG22 ' H ' ' A' ' 60' ' ' THR . 50.0 t -59.97 112.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.46 147.0 19.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.0 10.66 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.77 177.61 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -140.58 136.5 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.73 ' CE3' HD22 ' A' ' 64' ' ' LEU . 56.6 m95 -95.29 141.12 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -129.98 147.47 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.688 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.6 tttm -114.13 15.97 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.7 -143.16 10.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.8 4.16 2.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -120.23 178.14 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.7 m -118.09 139.45 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 42' ' ' LYS . 13.4 mt -100.25 -175.98 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.5 mtm-85 -155.8 167.16 31.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 49' ' ' ASP . 1.9 p-10 -104.1 112.65 25.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 154.15 84.24 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.51 -129.08 6.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -53.89 -41.41 67.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -97.19 111.46 23.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -113.98 117.13 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -128.84 124.17 34.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -113.38 131.13 56.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -92.34 149.58 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -147.87 176.29 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.61 104.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.59 ' H ' HG22 ' A' ' 35' ' ' VAL . 22.5 p 41.25 32.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -152.48 118.35 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.52 155.18 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -137.27 122.48 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.91 HD23 HD13 ' A' ' 28' ' ' LEU . 38.2 tp -106.86 129.61 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -126.6 124.55 40.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.0 mt -105.72 108.6 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.47 145.3 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t0 59.37 52.65 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.4 mt -48.8 177.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -170.63 154.32 4.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -16.96 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.91 -33.06 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.36 -24.99 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.711 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -64.0 102.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.5 -119.85 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -139.38 110.98 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.95 123.32 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.7 m -117.09 145.1 43.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.5 t -122.46 116.3 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -94.52 128.83 41.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 t -132.89 94.24 3.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.35 -85.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.52 -43.95 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -61.93 170.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.8 ttp85 -163.53 136.06 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 5.8 t -130.0 162.03 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.2 p -139.03 149.81 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.567 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -141.95 123.44 14.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.067 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 m -83.46 108.83 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -84.43 144.65 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.2 m -112.76 132.01 55.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.711 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 46.6 t -126.17 135.32 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -108.4 138.8 44.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.32 134.99 34.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mt -45.64 153.06 0.64 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 142.3 47.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -135.07 173.25 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -93.58 164.88 13.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -128.56 145.54 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.0 m -42.09 108.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 102' ' ' GLY . 35.6 mt-10 60.17 42.92 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 101' ' ' GLU . . . -36.73 125.51 1.0 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -119.55 168.38 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.77 147.18 11.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 99.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -78.05 146.74 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.1 p -86.3 -55.23 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -113.55 84.49 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -85.17 121.52 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.53 80.92 1.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -97.12 137.93 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.3 p -142.43 175.68 9.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.07 -114.42 3.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 156.86 62.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 164.87 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HG2' ' CB ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -134.62 -177.51 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -104.97 139.37 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.0 p -113.62 -21.8 10.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -129.76 109.86 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.79 134.52 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.787 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.6 tt -44.51 146.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.759 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.3 tmmm? -118.1 153.41 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.475 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 7.0 t -150.42 178.68 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.835 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -146.64 157.99 43.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -96.47 126.4 41.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB2' ' NZ ' ' A' ' 18' ' ' LYS . . . -136.54 167.88 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.082 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -97.3 168.16 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -49.86 139.23 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.27 -26.91 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . . . -64.68 -179.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 m -124.95 121.39 34.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.598 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -87.25 134.48 33.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.1 m -118.45 119.43 34.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.2 mp -116.66 137.41 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -127.23 139.09 53.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -143.53 140.24 30.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -98.55 162.49 13.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.7 mt -136.52 159.38 41.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.433 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 5.3 t -65.95 -27.78 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -164.76 158.72 17.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.8 t -55.18 113.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.05 154.53 31.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 142.94 49.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 178.08 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -158.4 110.87 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.683 ' CD1' HD13 ' A' ' 55' ' ' LEU . 47.6 m95 -70.99 144.59 50.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 18.9 mttp -138.42 148.02 43.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -120.11 33.77 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 131.75 -145.72 17.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.7 Cg_endo -69.76 3.11 2.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -116.39 172.47 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 m -118.82 141.82 48.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 41' ' ' LYS . 5.1 mp -110.45 171.16 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -147.89 -176.73 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -105.52 116.03 31.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.22 -101.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.88 -83.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -43.05 -41.19 3.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.464 ' CE1' HG23 ' A' ' 66' ' ' ILE . 4.5 m-85 -105.91 138.62 41.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -141.12 117.37 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.683 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.74 146.54 51.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -130.85 144.9 51.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -105.82 130.57 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.94 93.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.89 -100.38 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -109.51 34.45 3.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -143.36 149.25 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.3 m -135.24 120.09 18.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -107.15 123.48 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.662 HD22 ' CE3' ' A' ' 40' ' ' TRP . 29.6 tp -111.3 117.76 34.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -116.5 111.28 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.464 HG23 ' CE1' ' A' ' 53' ' ' TYR . 13.3 mt -97.13 105.96 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -81.73 142.22 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t0 72.08 54.71 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.598 HD11 ' HB2' ' A' ' 26' ' ' ALA . 15.2 mt -57.98 166.76 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -160.75 150.74 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 94' ' ' ALA . 11.6 m -57.19 -20.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.47 -25.22 33.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.33 -27.61 59.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.617 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -58.19 103.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.15 -123.89 0.78 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -132.73 112.57 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 83.8 m-85 -97.71 116.17 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.39 140.51 45.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.3 t -119.39 122.23 41.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.9 mtt -97.99 129.07 44.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 t -132.58 96.57 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.81 -81.51 0.64 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.485 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -128.31 -44.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -67.98 173.55 4.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -162.62 143.8 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.685 HG23 HD12 ' A' ' 15' ' ' LEU . 5.3 t -132.61 147.84 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.9 p -127.15 146.35 50.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.787 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.67 108.18 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.6 m -68.32 123.6 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 18' ' ' LYS . 4.0 tp -101.87 144.79 30.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.3 m -109.02 140.05 43.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.617 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 99.1 t -129.82 135.02 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.17 125.23 50.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' HB2' HG11 ' A' ' 71' ' ' VAL . . . -68.51 148.14 51.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.7 155.41 14.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 125.63 12.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -140.84 157.11 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 62.56 39.94 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 101' ' ' GLU . 17.6 t80 -100.06 92.96 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.4 p -90.01 -21.14 22.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.538 ' O ' ' CE2' ' A' ' 99' ' ' PHE . 11.7 tt0 -80.44 126.57 31.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -146.55 -52.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -168.49 147.91 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -157.29 -74.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -20.0 35.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 p -108.34 151.2 26.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.1 p -107.94 160.84 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -152.68 168.74 24.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 m -102.7 40.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.15 -130.73 6.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -104.34 155.39 18.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p -93.09 -49.94 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.0 -156.81 16.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.7 51.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.92 161.94 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.484 ' CD ' ' HB2' ' A' ' 33' ' ' SER . 0.1 OUTLIER -139.58 174.97 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 67.1 m-85 -93.95 137.52 33.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.6 p -112.8 -20.21 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 9.6 mm100 -134.28 110.82 9.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.72 122.84 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 86' ' ' THR . 6.2 tp -58.99 138.96 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -124.57 -179.44 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.673 HG21 ' O ' ' A' ' 89' ' ' THR . 3.4 t -145.35 179.37 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.563 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -130.55 161.46 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -103.1 136.26 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -145.16 167.09 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 44.1 t -91.26 163.13 14.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -50.18 143.09 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.86 -11.01 16.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -78.0 -179.1 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.7 m -121.17 119.93 33.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' N ' HD11 ' A' ' 69' ' ' LEU . . . -74.18 168.51 19.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -155.69 105.93 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.681 HD13 HD23 ' A' ' 64' ' ' LEU . 5.0 mp -104.33 148.68 26.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -131.33 141.24 49.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.468 ' HB3' HD13 ' A' ' 15' ' ' LEU . 6.8 p -148.35 152.08 36.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 10.3 tt0 -109.1 169.99 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.6 mt -150.46 153.66 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.484 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 16.0 t -62.93 -29.62 70.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -162.17 158.92 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 60' ' ' THR . 42.6 t -59.66 114.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.99 151.37 27.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.719 . . . . 0.0 111.065 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 123.35 10.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.223 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -121.9 167.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -138.9 133.9 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.833 ' CE3' HD22 ' A' ' 64' ' ' LEU . 28.9 m95 -91.07 147.67 22.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.02 149.98 49.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 44.3 tttm -118.79 11.81 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 151.43 -141.4 8.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.6 Cg_endo -69.75 2.79 3.21 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -115.37 171.82 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -114.03 143.58 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.7 mt -114.93 150.67 35.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -150.03 148.63 29.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -55.15 134.47 49.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.6 109.78 1.83 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.74 -123.23 5.92 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -94.66 31.25 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -150.73 129.07 12.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -120.69 116.04 24.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -125.84 109.47 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -104.81 134.38 48.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 15.5 tp60 -90.32 152.0 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 4.9 t70 -152.34 162.48 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.34 105.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.459 ' H ' HG22 ' A' ' 35' ' ' VAL . 2.4 p 48.82 30.92 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 111.11 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -152.03 145.23 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -138.93 141.81 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -127.56 114.52 17.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.833 HD22 ' CE3' ' A' ' 40' ' ' TRP . 12.7 tp -99.35 141.83 31.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -133.71 137.43 45.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 26' ' ' ALA . 9.7 mt -115.99 96.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -71.01 134.46 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t0 74.71 53.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 26' ' ' ALA . 17.6 mt -55.58 163.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.56 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -168.28 152.07 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -27.6 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.06 -32.01 56.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.14 -26.02 67.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.801 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -66.14 103.38 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.26 -130.14 1.46 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.443 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -131.27 107.85 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 87.6 m-85 -97.08 116.41 29.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.27 136.37 49.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.849 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 t -117.04 116.23 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 25.5 mtt -94.55 125.81 39.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 17.9 t -130.67 95.97 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.13 -97.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -115.93 -31.91 5.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.18 169.79 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 12.8 ttp-105 -160.39 150.13 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 15' ' ' LEU . 8.9 t -145.8 158.34 43.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.4 p -139.62 152.77 47.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.43 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -144.05 111.55 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.673 ' O ' HG21 ' A' ' 17' ' ' THR . 94.4 m -67.56 114.72 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 18' ' ' LYS . 7.2 tp -79.44 152.74 30.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.476 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 88.7 m -115.69 126.98 54.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.801 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.7 t -122.12 112.88 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.5 mmp_? -90.06 122.96 33.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 144.61 53.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.14 150.33 15.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 123.61 10.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.2 -13.44 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -103.08 12.92 35.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -43.06 -61.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.8 t -108.88 131.97 54.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -54.78 115.26 2.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.33 -31.89 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.51 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -41.54 -32.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.417 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.38 83.83 0.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.18 4.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t 64.13 52.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.3 m -85.32 -176.16 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p -72.57 118.99 16.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -159.28 161.89 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.59 98.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 p -77.33 145.05 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -90.31 42.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.22 -175.01 25.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 160.05 51.15 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.37 127.05 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -113.28 137.04 52.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 81' ' ' CYS . 87.1 m-85 -60.55 143.47 53.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.1 p -115.45 -28.73 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -128.65 112.16 13.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -39.07 148.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.727 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 1.8 tt -66.96 129.2 39.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.8 mmmm -110.45 167.38 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 89' ' ' THR . 3.2 t -148.13 178.56 8.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -127.93 170.25 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 6.9 pt-20 -110.24 109.98 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -117.75 165.18 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -92.89 157.91 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -48.0 132.23 15.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.42 6.0 86.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.84 179.7 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 m -117.5 118.22 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -81.65 168.35 18.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.52 HG22 ' OE1' ' A' ' 29' ' ' GLN . 3.4 m -150.61 114.26 4.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD13 HD23 ' A' ' 64' ' ' LEU . 5.1 mp -106.2 139.65 40.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.52 ' OE1' HG22 ' A' ' 27' ' ' THR . 2.6 mp0 -122.22 131.37 53.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.03 157.93 45.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -117.25 167.73 10.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.1 mt -143.39 163.58 32.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -74.52 -22.51 59.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -173.3 153.76 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.4 HG22 ' C ' ' A' ' 59' ' ' GLY . 49.6 t -51.73 115.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.96 153.83 27.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 136.54 33.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.748 2.299 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.401 HG12 ' HB2' ' A' ' 81' ' ' CYS . 21.5 m -137.92 166.11 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -141.6 121.25 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.914 ' CD1' HD23 ' A' ' 55' ' ' LEU . 26.1 m95 -79.48 149.76 31.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -140.04 149.69 43.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' A' ' 47' ' ' LEU . 24.0 tttt -120.84 17.62 11.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.27 -143.11 10.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 54.0 Cg_endo -69.73 3.05 2.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.7 170.56 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -111.28 149.61 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 42' ' ' LYS . 7.3 mt -125.24 155.82 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -158.51 158.37 33.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -67.16 120.58 13.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.71 -60.85 0.25 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.22 -135.95 2.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 35.1 mmt180 -77.0 47.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 95.3 m-85 -161.99 111.36 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.22 118.64 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.914 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.2 OUTLIER -119.72 108.5 14.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -101.18 143.03 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -112.44 108.31 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -106.46 84.09 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.4 ' C ' HG22 ' A' ' 35' ' ' VAL . . . 66.33 -105.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 55.3 p -104.79 14.92 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.137 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -129.8 151.71 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 78.6 m -129.42 151.68 49.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -134.58 118.1 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD23 HD13 ' A' ' 28' ' ' LEU . 21.4 tp -103.34 139.49 38.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -128.03 127.92 44.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.45 HG23 ' CE1' ' A' ' 53' ' ' TYR . 9.9 mt -113.16 96.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -73.95 152.69 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 56.48 50.94 12.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.7 mt -53.49 177.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 73' ' ' ASP . 1.8 m -174.33 138.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.8 m -43.51 -34.02 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.6 78.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' SER . 5.1 m-20 -60.6 -38.63 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -45.9 106.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.51 -125.92 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -136.26 114.08 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.577 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 85.1 m-85 -97.11 117.12 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -111.28 142.08 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.7 t -122.68 123.5 41.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -100.99 126.77 47.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.443 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 38.5 t -129.32 97.3 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.62 -84.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -125.25 -39.19 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 169.85 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.5 ttp85 -160.16 146.47 15.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 13.3 t -134.76 162.12 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.3 p -136.51 149.01 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.727 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.75 126.86 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.668 ' O ' HG21 ' A' ' 17' ' ' THR . 71.8 m -90.45 106.47 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.142 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.41 ' HA ' HG21 ' A' ' 17' ' ' THR . 7.7 tp -74.5 148.05 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -111.09 128.97 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.724 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 50.8 t -127.15 119.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -96.85 125.52 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.35 146.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.52 153.88 2.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 114.27 3.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.22 150.48 38.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -71.44 104.98 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -98.19 -53.57 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.9 m -75.17 111.52 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -102.68 90.03 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 43.94 -161.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 t -77.29 118.66 20.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.14 -96.81 0.56 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 113.82 3.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 m -121.16 81.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.7 m 52.0 52.73 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m 59.54 42.22 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 m -78.91 94.87 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.13 -59.26 1.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -57.91 117.57 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -39.43 -47.77 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.29 175.57 15.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.35 57.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 152.1 21.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.467 ' HD3' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -129.41 176.57 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -93.66 138.19 32.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.2 p -113.43 -27.53 7.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.2 mm-40 -127.3 104.77 8.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' GLN . 1.6 p30 -36.14 129.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.8 tt -44.96 150.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.844 ' N ' HD23 ' A' ' 15' ' ' LEU . 13.9 tptt -136.21 153.61 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.497 HG21 ' O ' ' A' ' 89' ' ' THR . 13.9 t -136.14 -174.96 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.659 ' HE2' ' HB2' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -132.69 -177.57 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 13.1 tt0 -120.31 109.79 15.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB2' ' HE2' ' A' ' 18' ' ' LYS . . . -122.08 168.38 12.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 m -102.14 169.62 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -50.96 143.09 10.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.58 2.77 81.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -85.15 -174.19 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 26' ' ' ALA . 7.7 m -124.66 99.22 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.806 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -40.74 162.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.4 m -164.8 109.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HB3' HD21 ' A' ' 15' ' ' LEU . 5.1 mp -122.17 134.44 54.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -118.49 135.0 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.3 p -134.52 178.87 6.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 5.9 tt0 -134.55 166.05 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.4 mt -147.51 154.13 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.467 ' CB ' ' HD3' ' A' ' 10' ' ' ARG . 35.9 t -66.31 -23.71 66.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -162.44 158.43 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.42 104.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.83 149.31 35.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.623 0.725 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 129.72 18.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.46 170.86 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -132.8 133.06 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.845 ' CD1' HD23 ' A' ' 55' ' ' LEU . 45.2 m95 -94.56 149.5 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' SER . 23.6 mttt -138.29 147.12 43.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.804 ' HB2' HD11 ' A' ' 47' ' ' LEU . 44.3 tttm -112.17 15.68 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 147.81 -142.69 10.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.3 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -120.58 174.47 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -114.45 137.04 52.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 42' ' ' LYS . 83.8 mt -99.05 -178.03 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 2.1 mpp_? -157.11 167.8 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.635 ' HB3' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -91.64 113.76 26.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.44 174.73 24.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.47 -94.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.476 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -119.08 42.33 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -155.93 123.39 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -124.79 114.88 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.845 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.1 mp -116.65 103.49 10.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -97.53 118.22 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -89.53 153.42 20.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -157.85 177.8 10.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.45 103.44 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p 39.51 38.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -156.26 133.89 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.1 m -127.02 147.24 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -128.02 113.91 16.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.459 HD23 HD13 ' A' ' 28' ' ' LEU . 22.8 tp -96.66 127.5 42.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -122.17 130.4 53.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.803 HD12 ' CB ' ' A' ' 26' ' ' ALA . 6.6 mt -115.18 95.7 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -67.63 138.24 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 t70 74.92 52.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.806 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -55.97 163.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -171.5 155.64 4.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 m -50.77 -31.54 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.07 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.62 -13.4 60.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.703 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -72.99 100.3 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.63 -120.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.532 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.77 136.7 34.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -118.96 129.89 55.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LYS . 14.8 m -119.17 140.47 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.22 120.15 31.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 37.8 mtt -98.46 131.36 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.52 95.48 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.77 -87.5 0.75 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -123.25 -37.06 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.69 167.77 17.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -154.67 150.85 28.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 15' ' ' LEU . 4.2 t -144.45 160.39 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.9 t -139.36 157.71 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.505 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -152.88 125.56 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.497 ' O ' HG21 ' A' ' 17' ' ' THR . 92.6 m -87.55 116.62 25.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.582 HD11 ' NZ ' ' A' ' 18' ' ' LYS . 3.7 tp -84.32 145.42 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.412 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 10.3 m -113.18 122.7 48.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.703 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 22.0 t -119.55 134.17 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' NH1' ' OE2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -103.39 125.65 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.0 138.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.4 mt -44.26 155.0 0.37 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 147.8 63.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.405 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.53 -31.9 22.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -122.26 136.64 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -100.15 174.19 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.9 p -60.88 102.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 102' ' ' GLY . 27.1 tt0 -114.82 152.86 31.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 101' ' ' GLU . . . -93.78 169.05 29.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.4 t -131.56 -61.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.93 167.39 24.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 162.72 40.96 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.7 m -51.95 164.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.7 m -71.05 148.41 47.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.495 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -64.73 92.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -67.72 143.45 55.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.8 -50.08 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -60.51 105.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -171.15 113.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.19 -89.98 2.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 160.21 50.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -85.22 154.88 21.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -124.92 141.69 51.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -58.84 139.18 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -113.94 -25.15 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -130.86 111.9 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.6 143.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.733 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.1 tt -53.81 142.75 22.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.725 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.8 tmmm? -108.9 157.39 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 6.0 t -167.55 163.39 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.664 ' NZ ' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -136.7 -174.99 3.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -118.57 109.86 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.688 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -112.05 168.95 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.7 p -90.35 169.81 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.28 143.08 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.4 -21.21 6.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -173.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.888 0.375 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.6 m -125.51 112.28 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -64.28 176.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.483 ' N ' ' HE3' ' A' ' 18' ' ' LYS . 55.3 m -168.01 107.69 0.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.797 HD13 HD23 ' A' ' 64' ' ' LEU . 4.9 mp -114.02 124.0 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -116.09 126.71 54.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.0 p -128.89 159.41 35.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -114.29 168.76 9.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.626 HD22 ' SG ' ' A' ' 81' ' ' CYS . 33.8 mt -147.62 156.28 42.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.4 t -61.82 -29.79 70.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HG3' ' HB2' ' A' ' 9' ' ' ALA . 6.6 pttp -163.19 171.98 15.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 59' ' ' GLY . 85.4 t -67.98 108.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -147.92 156.43 44.15 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.698 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.5 Cg_endo -69.83 130.08 18.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.56 HG12 ' HB2' ' A' ' 81' ' ' CYS . 26.6 m -122.86 166.98 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -143.89 119.8 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.937 ' CD1' HD23 ' A' ' 55' ' ' LEU . 38.7 m95 -79.56 144.87 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HE3' HG23 ' A' ' 46' ' ' THR . 21.5 mttt -139.8 147.24 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 47' ' ' LEU . 41.4 tttt -112.07 7.81 19.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 155.9 -141.77 8.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.1 Cg_endo -69.84 4.23 2.35 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.296 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -118.15 170.97 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.456 HG23 ' HE3' ' A' ' 41' ' ' LYS . 1.2 m -116.49 133.85 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 42' ' ' LYS . 9.9 mt -100.35 172.22 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -149.35 164.49 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -84.73 127.36 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.56 -102.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -88.05 -109.44 1.02 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -37.56 -51.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.834 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -74.71 111.14 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -123.45 101.12 7.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.937 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.3 OUTLIER -99.8 141.86 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -134.26 122.86 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -94.52 115.01 27.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.01 85.11 2.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' HG22 ' A' ' 35' ' ' VAL . . . 68.73 -103.25 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.4 p -108.34 22.76 15.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 mtp85 -137.7 158.28 44.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.9 m -138.22 137.6 37.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.71 119.9 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.797 HD23 HD13 ' A' ' 28' ' ' LEU . 16.0 tp -106.44 122.32 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -112.64 128.37 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.583 HD12 ' CB ' ' A' ' 26' ' ' ALA . 5.2 mt -111.4 89.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -62.91 148.01 48.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.86 44.53 4.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.2 mt -42.24 157.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.416 ' C ' HG11 ' A' ' 92' ' ' VAL . 1.1 t -158.05 154.2 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 m -56.43 -22.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.06 61.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.469 ' OD2' HG21 ' A' ' 66' ' ' ILE . 1.1 m-20 -67.98 -31.76 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.731 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -58.94 100.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.24 -122.31 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -139.18 109.89 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -99.7 119.11 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.25 139.34 41.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.7 t -120.66 116.02 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.2 mtt -95.47 127.83 41.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.626 ' SG ' HD22 ' A' ' 32' ' ' LEU . 19.9 t -133.0 96.09 3.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.23 -86.03 1.01 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -126.23 -41.51 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.83 173.47 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -163.63 141.11 7.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.1 t -133.61 157.14 46.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.41 150.92 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -144.65 119.33 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.3 m -74.45 115.36 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 18' ' ' LYS . 16.3 tp -91.58 139.87 30.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 89.2 m -111.31 142.65 43.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.731 HG23 ' HB2' ' A' ' 74' ' ' ALA . 47.9 t -134.39 123.03 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -87.64 125.99 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.85 133.14 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -42.12 153.07 0.3 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 113.13 3.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.37 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -39.06 155.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.2 125.35 8.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -83.31 -55.4 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -140.02 172.09 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.44 ' N ' ' OG1' ' A' ' 100' ' ' THR . 4.1 tt0 -81.76 94.11 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.56 -125.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.8 p -148.64 143.02 26.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -45.25 167.8 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 152.17 69.4 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.7 m -59.16 157.22 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.4 p -94.92 159.05 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.52 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -89.4 174.44 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -158.32 155.47 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 92.57 -102.87 2.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 10.7 t 36.94 42.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -139.15 150.02 45.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . . . 143.35 -95.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.73 26.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.3 122.99 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -110.65 135.92 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -56.95 139.91 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.6 p -115.5 -35.36 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 31' ' ' GLU . 6.6 mm-40 -116.27 108.78 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -37.26 139.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 16' ' ' LYS . 2.5 tt -67.54 134.03 50.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' N ' HD23 ' A' ' 15' ' ' LEU . 9.8 mmmt -121.16 173.34 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 89' ' ' THR . 6.9 t -151.18 175.58 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.577 ' O ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -126.62 163.97 22.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.468 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 20.0 pm0 -101.23 136.12 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -146.83 168.27 21.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.3 p -91.17 172.56 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -58.59 143.21 46.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.21 -29.57 3.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -174.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.2 m -130.79 122.97 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.28 -179.38 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.9 m -161.86 105.14 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.94 HD13 HD23 ' A' ' 64' ' ' LEU . 4.7 mp -101.97 145.63 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -136.12 132.23 35.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.31 167.78 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 13.1 tt0 -120.99 162.61 19.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD11 HG11 ' A' ' 38' ' ' VAL . 14.4 mt -136.43 165.3 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 t -66.19 -32.2 73.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HA ' HG22 ' A' ' 60' ' ' THR . 9.3 pttm -164.47 148.17 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.454 HG22 ' HA2' ' A' ' 59' ' ' GLY . 61.0 t -42.97 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.97 152.11 24.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 128.5 16.08 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.403 HG11 HD11 ' A' ' 32' ' ' LEU . 11.2 m -114.65 175.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.33 116.83 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.657 ' CE3' HD22 ' A' ' 64' ' ' LEU . 20.4 m95 -80.95 154.13 27.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.487 ' HD2' ' HE3' ' A' ' 80' ' ' MET . 21.1 mttt -144.81 142.63 30.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 30.2 tttm -113.75 24.42 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 140.32 -144.1 14.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.523 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 54.4 Cg_endo -69.74 4.52 2.14 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -114.89 171.42 7.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -116.45 148.1 41.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.794 HD22 ' CE2' ' A' ' 53' ' ' TYR . 9.6 mt -116.0 159.12 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 47' ' ' LEU . 1.7 mmp_? -145.97 140.47 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.94 135.77 48.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.61 118.25 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.88 -130.64 10.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -61.17 -35.21 76.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.794 ' CE2' HD22 ' A' ' 47' ' ' LEU . 79.7 m-85 -107.29 119.27 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -114.54 104.08 11.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD13 ' CD1' ' A' ' 40' ' ' TRP . 1.2 mt -95.02 150.92 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -134.05 128.36 34.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 58' ' ' ASP . 27.3 tp60 -91.81 151.95 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 6.7 t70 -164.5 160.7 20.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -44.79 101.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 34' ' ' LYS . 65.7 p 50.75 35.6 12.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.779 0.323 . . . . 0.0 111.164 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -153.09 148.33 26.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.2 m -137.1 147.77 46.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -131.39 110.69 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.94 HD23 HD13 ' A' ' 28' ' ' LEU . 6.5 tp -94.74 142.14 27.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.624 ' N ' HD12 ' A' ' 64' ' ' LEU . 14.7 mt-30 -130.25 111.9 12.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.7 mt -94.14 95.28 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.23 141.09 41.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 73.46 48.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 13.5 mt -53.1 156.43 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.14 152.92 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.0 m -51.68 -30.79 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.8 -29.27 64.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -34.52 76.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.82 98.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.04 -119.54 0.77 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -139.11 111.33 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.539 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 79.3 m-85 -97.25 117.39 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.2 m -108.41 137.97 45.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -119.09 125.64 49.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.487 ' HE3' ' HD2' ' A' ' 41' ' ' LYS . 27.9 mtt -101.61 129.24 47.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 40.7 t -133.19 100.9 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.96 -86.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -127.06 -40.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -67.18 177.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -166.2 147.94 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -139.84 163.53 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.7 m -134.34 149.72 50.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.49 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -143.31 133.99 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.533 ' O ' HG21 ' A' ' 17' ' ' THR . 62.1 m -97.65 111.4 23.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 18' ' ' LYS . 7.5 tp -80.85 153.1 27.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.458 ' N ' ' HG ' ' A' ' 90' ' ' LEU . 52.7 m -113.51 127.94 56.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.55 135.77 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -109.76 116.81 32.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.39 152.41 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.24 156.05 42.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 122.63 9.3 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.27 137.63 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -52.85 119.74 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' CD2' ' O ' ' A' ' 99' ' ' PHE . 33.6 p90 -76.03 117.06 17.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 t -109.82 142.49 41.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -167.47 158.56 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.47 56.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -128.98 154.98 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.91 138.37 7.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.539 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.66 40.93 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 107' ' ' SER . 5.2 t -162.59 109.52 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' GLY . 37.5 t -37.73 115.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 m -130.28 147.12 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.89 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -148.23 119.06 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.52 -137.93 4.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -74.89 108.18 7.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 p -112.32 87.9 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.74 -174.46 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.0 58.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.248 . . . . 0.0 112.335 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.29 144.31 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.57 136.83 49.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.697 ' HA ' HD23 ' A' ' 32' ' ' LEU . 54.2 m-85 -57.6 140.87 49.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 p -117.38 -31.54 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -128.42 121.79 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -42.79 152.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 2.0 tt -73.72 128.96 36.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -112.03 164.12 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.468 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 4.4 t -148.03 177.92 8.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -127.98 163.11 25.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -98.41 109.98 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -118.02 168.05 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.4 m -103.12 168.03 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -50.72 136.87 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.11 -33.65 3.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 172.22 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 66' ' ' ILE . 14.8 m -116.44 115.69 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -69.7 179.43 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.9 m -156.9 109.04 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.74 HD13 HD23 ' A' ' 64' ' ' LEU . 2.0 mp -110.55 123.06 49.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -120.88 141.49 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -141.95 160.39 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -112.73 158.71 19.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 11' ' ' PHE . 36.0 mt -143.04 160.43 40.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 t -61.56 -34.19 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HA ' HG22 ' A' ' 60' ' ' THR . 10.0 pttp -159.49 141.6 13.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 35' ' ' VAL . 7.1 p -46.11 112.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -146.14 155.38 50.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.6 Cg_endo -69.79 119.88 6.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG11 HD11 ' A' ' 32' ' ' LEU . 10.4 m -119.46 170.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -132.97 132.34 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.811 ' CE3' HD22 ' A' ' 64' ' ' LEU . 75.5 m95 -91.28 145.15 24.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 18.6 mttp -137.15 148.84 46.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -122.26 34.46 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.44 -145.79 17.35 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.09 2.95 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -115.67 168.73 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 m -114.53 127.49 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.6 mt -82.17 178.55 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 5.7 mmm180 -150.62 161.39 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.01 110.12 22.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.55 90.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . 116.51 -142.54 17.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' GLY . 2.0 tpp180 -35.67 -41.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.833 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -98.4 116.94 31.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -120.35 126.8 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.542 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -137.76 156.32 48.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.903 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -138.78 148.64 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -100.81 155.74 17.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -161.45 155.19 21.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -38.46 111.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 34' ' ' LYS . 70.9 p 39.79 42.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 0.0 111.129 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -161.19 137.53 8.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.3 m -127.5 156.99 41.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -142.94 117.58 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.811 HD22 ' CE3' ' A' ' 40' ' ' TRP . 43.0 tp -111.29 119.94 40.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -117.46 118.46 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 25' ' ' THR . 7.6 mt -100.36 121.09 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -88.66 147.96 24.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.98 54.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 26' ' ' ALA . 14.7 mt -57.96 158.52 6.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 p -164.2 148.36 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.8 m -44.94 -31.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.34 91.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.717 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -55.94 101.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.54 -113.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -139.29 111.82 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.366 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -97.08 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.614 ' HB2' ' HE1' ' A' ' 80' ' ' MET . 5.5 m -114.08 136.56 52.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.825 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 t -113.13 120.29 40.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.614 ' HE1' ' HB2' ' A' ' 78' ' ' SER . 0.0 OUTLIER -95.63 129.34 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.3 t -133.0 94.69 3.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.92 -84.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -120.97 -42.17 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -70.77 158.86 35.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 86' ' ' THR . 26.7 ttp180 -153.53 154.89 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.432 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 14.0 t -142.92 163.53 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -135.7 150.34 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -144.71 135.93 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -95.73 110.16 22.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.9 tp -87.12 142.42 27.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.5 m -111.01 128.5 55.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.717 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.0 t -120.01 132.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -107.35 111.0 23.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.27 160.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.87 157.46 59.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 129.63 17.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.347 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.03 153.26 40.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -47.18 154.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -73.97 136.08 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.5 p -45.37 150.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.78 -45.41 78.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.71 40.35 99.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 m -43.78 -45.09 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 65.99 171.92 4.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -28.78 24.52 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t 48.75 45.39 21.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -123.97 159.03 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -42.97 119.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -152.12 108.24 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.69 162.0 13.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -83.65 42.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.385 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t -116.03 147.75 40.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.53 147.47 15.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 161.99 43.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.31 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.19 162.01 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -135.31 162.14 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 88.3 m-85 -82.51 136.35 34.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.2 p -113.62 -19.08 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ASP . 2.9 mt-30 -134.77 102.15 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -35.89 136.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.79 HD22 ' CB ' ' A' ' 88' ' ' ALA . 2.2 tt -50.56 148.59 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.716 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -124.57 151.68 44.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.446 HG21 ' O ' ' A' ' 89' ' ' THR . 2.3 t -154.8 171.33 19.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -137.13 -177.34 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.4 pt-20 -115.61 109.83 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.953 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -107.01 168.29 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 p -93.62 163.9 13.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -55.13 131.69 45.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.7 -19.54 52.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.68 -174.67 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.371 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.1 m -123.97 114.52 19.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -61.79 178.04 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.469 ' N ' ' HE2' ' A' ' 18' ' ' LYS . 89.1 m -165.84 105.14 0.69 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.69 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.8 mp -113.36 117.94 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -115.08 136.04 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 p -134.6 169.15 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.75 157.84 34.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' SG ' ' A' ' 81' ' ' CYS . 28.5 mt -136.13 153.17 51.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -65.98 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -166.56 152.94 8.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -48.32 113.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.05 147.4 18.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.18 24.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.386 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.73 168.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -142.52 134.27 26.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.853 ' CD1' HD23 ' A' ' 55' ' ' LEU . 45.3 m95 -89.34 138.58 31.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -131.03 144.28 51.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.861 ' HB2' HD11 ' A' ' 47' ' ' LEU . 44.8 tttt -117.19 46.34 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.42 -148.3 17.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 4.18 2.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -117.26 171.67 7.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -118.85 130.13 55.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 42' ' ' LYS . 8.3 mt -90.0 174.41 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 1.4 mpp_? -149.28 144.61 26.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.527 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.4 p30 -61.87 156.91 19.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -178.96 35.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.78 -110.13 2.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 54.5 mtm180 -106.41 35.41 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.818 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.544 ' CE1' HG23 ' A' ' 66' ' ' ILE . 97.5 m-85 -158.54 119.91 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -116.82 120.6 39.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.853 HD23 ' CD1' ' A' ' 40' ' ' TRP . 1.9 mp -117.93 141.55 48.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -136.86 121.68 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -96.87 100.35 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.29 75.23 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.27 -98.99 1.04 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.3 p -105.78 9.45 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -125.34 148.8 48.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.3 m -129.54 135.47 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -121.54 124.34 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.618 HD13 ' HG ' ' A' ' 55' ' ' LEU . 20.9 tp -113.44 132.8 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -121.42 131.71 54.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.605 HD12 ' CB ' ' A' ' 26' ' ' ALA . 6.0 mt -110.73 89.99 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -62.59 144.85 55.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.92 52.78 2.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.953 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 12.3 mt -50.0 145.64 5.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.534 ' C ' HG11 ' A' ' 92' ' ' VAL . 25.1 m -145.57 150.73 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -23.33 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.49 60.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -21.19 61.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.892 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -68.5 101.55 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.66 -120.93 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -138.56 114.71 10.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -98.8 119.51 37.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.78 135.93 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.6 t -120.26 110.34 16.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.5 mtt -96.4 131.64 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.489 ' SG ' HD22 ' A' ' 32' ' ' LEU . 25.3 t -131.48 99.66 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.69 -84.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -125.39 -41.84 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -66.82 -179.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -166.0 150.47 8.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -142.0 163.06 33.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -137.65 151.62 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.79 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -145.22 107.75 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.446 ' O ' HG21 ' A' ' 17' ' ' THR . 39.2 m -67.28 121.97 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.0 tp -101.0 138.84 37.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -112.4 137.32 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.892 HG23 ' HB2' ' A' ' 74' ' ' ALA . 39.4 t -128.07 123.68 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -96.82 124.88 40.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.93 140.66 47.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt -49.57 151.85 2.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.745 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.1 18.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.58 53.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -96.29 123.26 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -100.46 97.26 8.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.1 t -121.01 156.98 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -108.56 117.15 33.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -104.33 90.59 0.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t -41.8 -58.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.806 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 129.58 72.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.83 23.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.0 p -164.85 148.39 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.9 m -90.6 157.45 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.45 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -88.3 105.72 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m 62.26 27.39 16.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.45 130.44 10.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -66.33 99.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -135.71 132.22 36.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.56 146.04 5.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 169.59 18.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.6 137.71 37.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -119.09 135.55 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -54.32 145.97 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -117.62 -29.67 5.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' ASP . 30.6 mm-40 -130.46 118.9 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' GLN . 8.3 p-10 -37.09 151.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.901 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 3.6 tt -57.96 150.84 19.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.891 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -118.22 117.04 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.528 ' HB ' HD23 ' A' ' 28' ' ' LEU . 9.0 t -120.39 158.25 27.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -125.34 168.32 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 5.5 pt-20 -111.02 111.9 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -120.25 168.31 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.66 166.96 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.94 145.7 15.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.26 -39.0 2.25 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.46 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.9 m -118.06 131.32 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -91.77 122.42 34.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.401 HG22 ' OE1' ' A' ' 29' ' ' GLN . 8.2 m -108.11 117.77 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD23 ' HB ' ' A' ' 17' ' ' THR . 4.8 mp -116.79 143.82 45.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.487 ' CD ' ' C ' ' A' ' 28' ' ' LEU . 2.2 mp0 -126.37 138.74 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.7 p -141.22 154.74 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . 12.0 tt0 -110.95 166.42 11.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.467 HD22 ' SG ' ' A' ' 81' ' ' CYS . 29.9 mt -146.06 159.4 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -66.42 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -167.7 159.46 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -50.67 112.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.5 150.77 21.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.599 0.714 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.32 25.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -121.56 176.13 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -147.92 119.71 8.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.847 ' CE3' HD22 ' A' ' 64' ' ' LEU . 45.9 m95 -83.09 141.34 32.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -134.21 144.2 48.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HB2' HD11 ' A' ' 47' ' ' LEU . 30.8 tttt -112.97 23.24 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 141.83 -144.41 14.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.6 Cg_endo -69.82 3.9 2.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.27 167.99 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -113.62 140.22 48.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 42' ' ' LYS . 6.2 mt -110.15 170.43 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -143.17 172.62 12.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.04 124.4 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.15 116.83 1.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.87 -131.87 10.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -54.87 -42.0 71.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.345 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -92.66 106.48 18.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -114.81 120.43 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -129.6 146.25 51.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -126.02 152.19 46.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -115.3 128.6 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -130.71 99.1 4.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.65 -105.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.9 p -108.44 31.97 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.739 0.304 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -146.88 119.46 8.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.0 m -113.06 139.25 48.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' CG ' ' OE1' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -120.59 147.84 44.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.847 HD22 ' CE3' ' A' ' 40' ' ' TRP . 19.3 tp -126.4 118.38 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -110.01 116.28 31.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 26' ' ' ALA . 8.1 mt -101.3 105.49 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -80.39 152.19 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.02 51.4 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.2 mt -56.01 163.09 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.6 p -164.7 141.45 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 m -44.05 -31.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.55 90.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.71 -36.33 80.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.637 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . . . -47.43 104.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.9 -123.56 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.13 111.08 10.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -97.41 116.33 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -104.52 156.09 18.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.3 t -133.06 118.5 18.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.7 mtt -96.21 127.56 42.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.467 ' SG ' HD22 ' A' ' 32' ' ' LEU . 47.4 t -132.25 96.02 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 -84.61 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -124.55 -43.58 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.65 177.73 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 86' ' ' THR . 32.9 ttp180 -164.07 156.62 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.48 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 8.9 t -133.87 162.21 32.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -142.4 138.45 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.901 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -142.37 108.9 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.528 ' O ' HG21 ' A' ' 17' ' ' THR . 23.5 m -63.82 120.75 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.0 tp -88.98 141.45 28.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.3 m -111.69 127.17 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.637 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 88.8 t -122.34 124.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -92.55 118.33 30.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.77 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 mt -57.2 156.16 15.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 116.37 4.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.91 -45.87 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -133.91 150.32 51.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -111.62 139.15 47.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 32.1 p -59.24 92.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -83.47 179.73 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.53 147.1 9.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.8 p -121.28 121.91 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.63 85.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 156.22 63.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 t -131.3 173.2 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.4 t -88.11 148.38 24.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m -144.58 128.54 17.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -147.31 161.75 40.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.24 73.86 0.5 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -98.27 130.29 44.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -58.75 151.11 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.4 -157.98 23.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 152.25 69.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 139.12 49.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' CD ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -115.79 160.5 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CE1' HD21 ' A' ' 32' ' ' LEU . 51.3 m-85 -81.45 141.01 34.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.3 p -115.08 -19.53 10.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -144.47 116.5 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -40.87 158.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.936 ' HB3' ' HB2' ' A' ' 88' ' ' ALA . 0.9 OUTLIER -60.3 163.2 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.769 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -131.93 152.85 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 1.1 t -163.79 171.08 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.99 -179.86 5.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 30.5 tt0 -107.51 109.26 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB1' ' CB ' ' A' ' 24' ' ' ALA . . . -117.4 168.87 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 m -102.68 168.6 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -47.97 140.42 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.8 -28.64 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB3' HD12 ' A' ' 69' ' ' LEU . . . -59.03 -172.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.2 m -130.27 107.05 8.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.041 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -60.65 124.36 20.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -112.31 106.81 15.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.868 ' HB3' HD21 ' A' ' 15' ' ' LEU . 4.4 mp -109.95 120.76 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -119.31 134.56 55.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 p -133.58 164.32 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -117.61 162.96 17.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.52 HD22 ' SG ' ' A' ' 81' ' ' CYS . 92.7 mt -144.53 161.14 39.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -70.2 -20.2 63.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.31 158.75 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.441 ' N ' HG22 ' A' ' 60' ' ' THR . 21.0 t -61.95 95.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.23 151.88 72.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 139.28 40.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG12 ' SG ' ' A' ' 81' ' ' CYS . 5.3 m -124.98 167.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -130.7 113.89 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CD1' HD23 ' A' ' 55' ' ' LEU . 56.9 m95 -77.66 145.07 36.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' HE3' HG23 ' A' ' 46' ' ' THR . 13.3 mttp -139.82 150.02 44.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.544 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 44.2 tttp -119.55 15.4 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 44' ' ' PRO . . . 148.18 -142.95 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.489 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 43' ' ' GLY . 53.1 Cg_endo -69.79 3.12 2.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.3 166.54 12.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.462 HG23 ' HE3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -109.22 139.47 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -100.69 178.87 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -157.75 164.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.635 ' HB3' HD13 ' A' ' 55' ' ' LEU . 4.1 p-10 -95.35 116.2 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.03 87.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.68 -134.13 10.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -53.01 -41.16 64.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -87.09 111.49 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -108.96 120.61 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.861 HD23 ' CD1' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -132.55 123.26 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HG2' ' N ' ' A' ' 57' ' ' GLN . 20.3 ttpt -139.86 157.28 45.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 56' ' ' LYS . 6.4 tp60 -89.47 138.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -131.94 62.47 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.64 91.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 35' ' ' VAL . 63.0 p 50.2 25.73 1.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -150.35 116.72 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.7 m -99.56 134.26 42.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -124.05 112.17 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.659 HD13 ' HG ' ' A' ' 55' ' ' LEU . 14.6 tp -98.47 135.96 39.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -122.8 117.39 25.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 26' ' ' ALA . 30.0 mt -102.09 87.15 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -63.45 139.48 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t0 73.81 52.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.041 HD21 ' HB2' ' A' ' 26' ' ' ALA . 13.0 mt -52.82 152.89 3.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -156.48 149.66 24.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.53 HG11 ' HB2' ' A' ' 94' ' ' ALA . 6.0 m -47.46 -36.81 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.72 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.15 -25.32 64.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.692 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -65.19 101.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.64 -121.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -138.17 109.42 6.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.544 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 66.0 m-85 -97.3 117.73 32.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -102.8 133.47 47.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 17.7 t -110.79 116.91 32.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -94.37 123.06 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.566 ' SG ' HG12 ' A' ' 38' ' ' VAL . 52.9 t -130.45 98.49 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.24 -94.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -119.9 -32.93 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 10' ' ' ARG . 26.7 mt-10 -78.42 172.52 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 19.8 ttp-105 -154.1 151.35 29.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.603 HG23 HD12 ' A' ' 15' ' ' LEU . 11.3 t -137.48 147.85 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.7 p -125.74 155.11 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.936 ' HB2' ' HB3' ' A' ' 15' ' ' LEU . . . -154.94 109.59 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.2 m -73.16 111.44 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -87.96 135.52 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.46 128.51 54.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.692 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 60.4 t -122.13 125.76 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -97.35 109.36 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.53 ' HB2' HG11 ' A' ' 71' ' ' VAL . . . -52.64 163.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.53 155.94 73.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.712 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 132.66 23.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.23 132.97 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -39.16 -33.52 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -97.05 106.61 18.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 59.3 p -119.92 165.44 14.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 102' ' ' GLY . 19.8 tt0 57.17 42.8 25.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 101' ' ' GLU . . . -34.54 -64.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -89.23 155.32 19.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -131.12 169.7 21.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.83 23.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.224 . . . . 0.0 112.328 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' SER . 3.7 t -113.05 -43.91 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' SER . 65.3 p 37.22 41.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 179.985 . . . . . . . . 0 0 . 1 stop_ save_